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Structures Statistics
Filter Statistics:
Organism:
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Rhodobacteraceae bacterium KLH11
Yersinia pestis KIM10+
Roseovarius nubinhibens ISM
Oryctolagus cuniculus
Paracoccus denitrificans PD1222
Dinoroseobacter shibae DFL 12
Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Methanocaldococcus jannaschii DSM 2661
Sorangium cellulosum 'So ce 56'
Klebsiella pneumoniae subsp. pneumoniae MGH 78578
Legionella pneumophila subsp. pneumophila str. Philadelphia 1
Chloroflexus aurantiacus J-10-fl
Agrobacterium tumefaciens str. C58
Ochotona princeps
Bacillus subtilis subsp. subtilis str. 168
Rhodobacter sphaeroides 2.4.1
Bos taurus
Roseiflexus sp. RS-1
Clostridium perfringens ATCC 13124
Roseobacter denitrificans OCh 114
Xanthobacter autotrophicus Py2
Francisella philomiragia subsp. philomiragia ATCC 25017
Arthrobacter aurescens TC1
Equus caballus
Salmonella enterica subsp. enterica serovar Typhimurium
metagenome sequence
Labrenzia aggregata IAM 12614
Bacillus licheniformis ATCC 14580
Rhizobium etli CFN 42
Labrenzia alexandrii DFL-11
Pseudomonas aeruginosa PAO1
Corynebacterium glutamicum ATCC 13032
Hoeflea phototrophica DFL-43
Bacillus halodurans C-125
Homo sapiens
Methylobacillus flagellatus KT
Methanosarcina mazei Go1
Marinobacter aquaeolei VT8
Escherichia coli O55:H7 str. CB9615
Xanthomonas campestris pv. campestris str. ATCC 33913
Lactobacillus acidophilus NCFM
Roseovarius sp. TM1035
Geobacter metallireducens GS-15
Sinorhizobium meliloti 1021
Sulfitobacter sp. NAS-14.1
Polaromonas sp. JS666
Species:
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Rhodobacteraceae bacterium KLH11
Sorangium cellulosum
Labrenzia alexandrii
Clostridium perfringens
Hoeflea phototrophica
Pseudomonas aeruginosa
Roseiflexus sp. RS-1
Corynebacterium glutamicum
Francisella philomiragia
Dinoroseobacter shibae
Marinobacter hydrocarbonoclasticus
Roseovarius nubinhibens
Roseobacter denitrificans
Homo sapiens
Paracoccus denitrificans
Roseovarius sp. TM1035
Xanthomonas campestris
Polaromonas sp. JS666
Salmonella enterica
Escherichia coli
Oryctolagus cuniculus
Sinorhizobium meliloti
Rhizobium etli
Lactobacillus acidophilus
Ochotona princeps
Bos taurus
Agrobacterium tumefaciens
Xanthobacter autotrophicus
Arthrobacter aurescens
Equus caballus
Rhodobacter sphaeroides
Legionella pneumophila
metagenome sequence
Methanocaldococcus jannaschii
Methanosarcina mazei
Bacillus halodurans
Bacillus licheniformis
Methylobacillus flagellatus
Chloroflexus aurantiacus
Bacillus subtilis
Labrenzia aggregata
Yersinia pestis
Geobacter metallireducens
Sulfitobacter sp. NAS-14.1
Klebsiella pneumoniae
Project
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CAD:ADG (Cell Adhesion Targets)
UVA:Rut
BIO:SINO
CAD:ADL (Cell Adhesion Targets)
UVA:Albumins
BIO:GLY
BIO:NPS (Natural Product Biosynthesis)
BIO:TBU
BIO:SINO (Sinorhizobium targets)
COV:NMR
NUP:KAR (KARyopherin)
BIO:NBC
IFN:CSP
CAD:ADL
COM:GIR
IFN:LEC
IFN:PAN_GITRL
NUP:NPC
COM (Community Requests)
NUP:KAR
IFN:TNFR
IFN:TNFL
BIO:N2F
BIO:COX (Coxiella effectors)
BIO:FDA (FDA-Approved Drug Targets)
COM:RAL
IFN:IgSF (Immune Function Network)
NUP:MEM (MEMbrane)
BIO:SEC (Secreted Pathogen Proteins)
CAD:SYN
CAD:ADN (Cell Adhesion Targets)
CAD:ADH
BIO:PRO
IFN:GEN
NUP:NPC (NucleoPorin Complex)
NUP:CGO (CarGO)
Lab:
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Albert Einstein College of Medicine
Brookhaven National Laboratory
University of Virginia
Clone Source
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Albert Einstein College of Medicine
University of Virginia
Clone Vector
No Filter/Remove Filter
pSGC-His
CHS30
CHS23
pSGC
pIEX-Cyto
pIEX-sec-C
pMAM-Fc
pDAD-Fc
pIEX-SEC
Nterm-HSU
SGC
SEC30
pDaed-Fc
pSGX3 (BC)
NT30
pET28a-MTDF
Y
NSUMO
N
pSGX
pNYCOMPSC
pNYCOMPS-N
pET23a-Cterm
CHS3
NpSGC
n/a
pET30a-MTDF
pET30CHS
NHSmt3
pET15bHisTEV
pET23a
pIEX-Cyto-GFP
pSGX2 (BN)
pET15b-GFP-HisTEV
pET15b_HisTEV
pET15b-TRX-HisTEV
Pet3a
his10-pSmt3
LIC-pET30a
pIEx-SEC
pTriex-Cyto
BC-PSGX3(BC)
CHS30 (plate SINO114 well A1)
CHS30 (plate SINO114 well A11)
CHS30 (plate SINO114 well A3)
CHS30 (plate SINO114 well A4)
CHS30 (plate SINO114 well A8)
CHS30 (plate SINO114 well A9)
CHS30 (plate SINO114 well B2)
CHS30 (plate SINO114 well B3)
CHS30 (plate SINO114 well C3)
CHS30 (plate SINO114 well C7)
CHS30 (plate SINO114 well F11)
CHS30 (plate SINO114 well F4)
CHS30 (plate SINO114 well F5)
CHS30 (plate SINO114 well F7)
pANT
PET-28A+
pET3a
pMT_Bip_v5_His_A
pNIC28-Bas4
synthetic peptide
Source of Crystals:
No Filter/Remove Filter
BNL
UVA
AECOM
Staff:
No Filter/Remove Filter
Agnidipta Ghosh
Partha Sampathkumar
Rakhi Agarwal
Yury Patskovsky
Subramaniam Eswaramoorthy
Aleksandra Knapik
Vladimir Malashkevich
Jungwook Kim
Desigan Kumaran
Karolina Majorek
Rotem Rubenstein
Matthew Vetting
Subramanyam Swaminathan
Rajesh Prakash
Zhening Zhang
Experimental methods
Number of structures
MR
76
SAD
45
SAD/MR
2
Structures Statistics for NYSGRC
Models should have R
factor
and R
free
that are bellow the blue line.
Target id
PDB id
Resolution
R
R-free
No. of waters per residue
Method
Clashscore
Molprobity Score
First Author
* Structures with the best and worst parameters are highlighted with separate colors. The best structures with molprobity clashscore better than 60% (of PDB deposits) and R, Rfree values lower than guidelines are colored in green. They also fulfill the additional condition: either R or R-free (or both) are lower by two percentiles than the guideline. The Worst structures with molprobity clashscore worse than 60% (of PDB deposits) are colored in red. Structures with either R or Rfree (or both) higher by two percentiles than the guideline are also colored in red.
000017
3RHD
2.20
0.182
0.238
0.33
MR
98%
1.63
Vladimir Malashkevich
000017
3PQA
1.50
0.189
0.222
0.74
MR
86%
1.49
Vladimir Malashkevich
000084
3R6A
1.76
0.218
0.234
0.42
SAD
43%
2.03
Subramanyam Swaminathan
000191
3R31
2.15
0.197
0.245
0.23
MR
51%
2.57
Rakhi Agarwal
000193
3R4Q
2.51
0.230
0.296
0.00
SAD
79%
2.36
Rakhi Agarwal
000196
3R79
1.90
0.244
0.245
0.37
SAD
80%
1.71
Subramanyam Swaminathan
000233
3RHA
2.05
0.159
0.195
1.08
MR
84%
1.88
Zhening Zhang
000283
3TG9
2.20
0.195
0.230
0.41
MR
83%
2.29
Zhening Zhang
000290
3P9X
1.90
0.193
0.226
0.83
MR
99%
1.49
Yury Patskovsky
000295
3OA4
1.94
0.198
0.234
0.41
MR
83%
2.12
Vladimir Malashkevich
000296
3QAN
1.95
0.218
0.280
0.47
MR
97%
1.76
Vladimir Malashkevich
000308
3RHH
2.30
0.235
0.297
0.11
MR
74%
2.56
Vladimir Malashkevich
000308
3PRL
2.00
0.251
0.306
0.29
MR
56%
2.43
Vladimir Malashkevich
000310
3RMT
2.80
0.226
0.286
0.05
MR
91%
2.85
Vladimir Malashkevich
000337
3RJL
2.20
0.224
0.292
0.16
MR
98%
1.99
Yury Patskovsky
000360
4DNG
2.50
0.185
0.256
0.08
MR
77%
2.35
Vladimir Malashkevich
000379
3OAJ
1.40
0.182
0.225
1.12
MR
73%
1.52
Vladimir Malashkevich
000408
3PTW
2.10
0.220
0.265
0.28
MR
84%
2.23
Vladimir Malashkevich
000469
3R64
2.57
0.235
0.282
0.16
MR
63%
2.97
Rakhi Agarwal
000524
3TFW
1.88
0.206
0.244
0.59
SAD
95%
1.62
Subramanyam Swaminathan
000529
3TFX
2.19
0.207
0.252
0.62
SAD
77%
2.48
Subramanyam Swaminathan
000531
3ROS
1.88
0.192
0.222
0.46
SAD
73%
1.73
Subramaniam Eswaramoorthy
000544
3RHE
2.05
0.219
0.241
0.35
SAD
52%
2.17
Zhening Zhang
000560
3R2G
1.94
0.181
0.207
0.67
SAD
90%
2.18
Rakhi Agarwal
000563
3R3H
2.65
0.265
0.290
0.00
SAD
47%
3.09
Rakhi Agarwal
000584
3RH9
2.63
0.191
0.252
0.27
SAD
69%
2.54
Zhening Zhang
000813
3T66
2.80
0.222
0.274
0.02
MR
91%
2.82
Rakhi Agarwal
001422
3ROT
1.91
0.220
0.254
0.17
SAD
57%
1.81
Subramaniam Eswaramoorthy
001462
3UIF
2.60
0.199
0.278
0.18
SAD/MR
99%
2.35
Vladimir Malashkevich
001582
3R39
2.14
0.203
0.221
0.34
SAD
89%
1.86
Rakhi Agarwal
005598
3R0N
1.30
0.153
0.173
1.05
MR
75%
1.37
Rajesh Prakash
005622
3RBG
2.30
0.201
0.233
0.30
MR
84%
2.33
Rotem Rubenstein
005977
3RP1
2.60
0.217
0.293
0.09
MR
93%
2.02
Partha Sampathkumar
006165
3RQ3
2.70
0.208
0.253
0.18
MR
98%
2.35
Rajesh Prakash
006165
3Q0H
1.70
0.209
0.237
0.56
SAD/MR
78%
1.91
Rajesh Prakash
011104
3UGN
2.59
0.245
0.296
?
MR
?
?
Rajesh Prakash
011119
4E4S
1.95
0.148
0.178
0.35
MR
82%
1.86
Rajesh Prakash
011123
4DB5
1.52
0.161
0.176
1.01
MR
69%
1.57
Rajesh Prakash
011686
4DGS
2.33
0.298
0.316
0.00
MR
18%
3.49
Zhening Zhang
011697
3UOE
2.31
0.192
0.245
0.36
MR
80%
2.04
Zhening Zhang
011880
3U3X
2.79
0.202
0.253
0.06
MR
87%
3.01
Rakhi Agarwal
011931
3V76
2.51
0.199
0.251
0.27
MR
53%
3.01
Zhening Zhang
011934
4E4G
2.90
0.192
0.269
0.09
MR
75%
3.16
Vladimir Malashkevich
011952
3UMA
2.20
0.214
0.241
0.15
MR
92%
2.04
Subramaniam Eswaramoorthy
011958
3UP8
1.96
0.212
0.240
0.24
MR
97%
1.48
Subramaniam Eswaramoorthy
012003
4EJ6
1.89
0.177
0.202
0.54
SAD
98%
1.12
Partha Sampathkumar
012026
3US8
2.25
0.182
0.237
0.45
SAD
83%
2.39
Desigan Kumaran
012035
4DNA
2.80
0.211
0.272
0.07
MR
92%
2.69
Vladimir Malashkevich
012061
4DAL
2.30
0.187
0.237
0.19
MR
90%
2.25
Vladimir Malashkevich
012068
3VC7
2.23
0.182
0.228
0.23
MR
95%
1.43
Agnidipta Ghosh
012068
4ESO
1.91
0.195
0.234
0.45
SAD
?
?
Agnidipta Ghosh
012078
4E6P
2.10
0.163
0.206
0.52
SAD
97%
1.35
Rajesh Prakash
012081
3UOG
2.20
0.209
0.249
0.22
MR
61%
2.74
Vladimir Malashkevich
012102
3UHJ
2.34
0.200
0.264
0.19
MR
79%
2.38
Rakhi Agarwal
012111
3U5R
2.05
0.184
0.232
0.53
MR
91%
2.06
Rakhi Agarwal
012131
4DIO
2.60
0.235
0.287
0.13
MR
63%
2.55
Zhening Zhang
012133
3V5N
2.80
0.188
0.252
0.06
MR
71%
2.99
Zhening Zhang
012149
3URH
1.90
0.187
0.227
0.44
SAD
77%
2.24
Desigan Kumaran
012178
4DA9
2.50
0.180
0.231
0.17
SAD
90%
2.29
Vladimir Malashkevich
012178
4EH0
2.40
0.201
0.242
?
MR
?
?
Rajesh Prakash
012205
3UN1
2.45
0.188
0.241
0.17
MR
73%
2.60
Rakhi Agarwal
012211
3V4C
1.91
0.174
0.225
0.67
MR
69%
1.85
Rakhi Agarwal
012233
3V2G
2.30
0.169
0.205
0.72
MR
92%
2.25
Rakhi Agarwal
012235
3U5T
2.40
0.246
0.285
0.14
SAD
43%
2.75
Zhening Zhang
012300
3V2H
3.00
0.229
0.287
0.07
MR
88%
2.78
Zhening Zhang
012316
3V8B
2.70
0.190
0.255
0.05
MR
85%
2.86
Desigan Kumaran
012321
4DRY
2.50
0.209
0.264
0.22
SAD
89%
2.27
Zhening Zhang
012365
4DND
1.40
0.164
0.200
1.26
SAD
95%
1.18
Vladimir Malashkevich
012386
3T61
2.20
0.237
0.250
0.44
SAD
72%
1.87
Desigan Kumaran
012388
3T69
2.55
0.220
0.277
0.11
MR
88%
2.75
Rakhi Agarwal
012403
4E1J
2.33
0.233
0.289
0.05
SAD
40%
3.03
Rakhi Agarwal
012406
3UBO
2.60
0.237
0.267
0.07
SAD
40%
3.24
Zhening Zhang
012416
3TXV
2.80
0.243
0.293
0.08
MR
91%
2.75
Rakhi Agarwal
012424
3TOX
1.93
0.203
0.255
0.42
MR
55%
1.92
Rakhi Agarwal
012473
3TPC
2.34
0.215
0.270
0.15
MR
56%
2.84
Rakhi Agarwal
012478
3TFO
2.08
0.178
0.219
0.64
SAD
67%
2.24
Rakhi Agarwal
012499
3U9L
2.10
0.187
0.236
0.69
SAD
78%
1.69
Zhening Zhang
012519
3U4J
2.00
0.189
0.224
0.31
SAD
87%
1.83
Subramaniam Eswaramoorthy
012591
3PVC
2.31
0.173
0.231
0.27
SAD
94%
2.14
Jungwook Kim
012591
3SGL
2.70
0.184
0.259
0.14
MR
86%
2.55
Jungwook Kim
012882
3UXY
2.10
0.172
0.212
0.60
MR
92%
1.69
Zhening Zhang
012907
4E8G
2.00
0.165
0.202
0.66
MR
99%
1.24
Matthew Vetting
013012
4E3E
1.90
0.143
0.188
0.68
SAD
96%
1.64
Vladimir Malashkevich
013101
4DN9
2.05
0.162
0.226
0.52
SAD
99%
1.10
Vladimir Malashkevich
013402
4E21
2.30
0.198
0.240
0.28
SAD
69%
2.52
Zhening Zhang
013409
4DN2
1.50
0.154
0.194
0.49
SAD
83%
1.38
Vladimir Malashkevich
013885
4DN7
1.60
0.169
0.232
0.63
SAD
77%
1.55
Vladimir Malashkevich
013905
4DPO
2.73
0.238
0.283
0.03
MR
95%
2.70
Rakhi Agarwal
014180
4DLL
2.11
0.221
0.278
0.20
MR
42%
2.59
Rakhi Agarwal
014181
4DU5
2.70
0.231
0.295
0.11
SAD
85%
2.88
Rakhi Agarwal
014306
4E3A
1.63
0.172
0.228
0.59
MR
85%
1.65
Vladimir Malashkevich
014350
4DUP
2.45
0.225
0.293
0.09
SAD
58%
2.91
Desigan Kumaran
014458
4E3Z
2.00
0.168
0.215
0.62
SAD
89%
2.09
Desigan Kumaran
014515
4DVJ
1.99
0.165
0.206
0.64
SAD
95%
1.60
Rakhi Agarwal
014530
4DQX
2.00
0.161
0.198
0.65
SAD
95%
1.74
Rakhi Agarwal
015235
4DYV
1.80
0.168
0.205
1.00
SAD
98%
1.15
Rakhi Agarwal
019670
4DNH
2.50
0.177
0.240
0.25
SAD
94%
2.35
Vladimir Malashkevich
200449
4DYK
2.00
0.177
0.224
0.35
MR
92%
1.89
Matthew Vetting
200456
4DZH
1.55
0.209
0.233
0.56
MR
92%
1.57
Matthew Vetting
200548
3U9I
2.40
0.246
0.285
0.18
SAD
73%
3.24
Zhening Zhang
200551
3S5S
2.40
0.196
0.263
0.09
MR
87%
2.63
Rajesh Prakash
200555
3R11
2.00
0.151
0.181
0.98
MR
96%
1.30
Matthew Vetting
200555
3R1Z
1.90
0.159
0.185
0.97
MR
92%
1.37
Matthew Vetting
200555
3R10
2.00
0.161
0.191
0.80
MR
93%
1.38
Matthew Vetting
200555
3R0U
1.90
0.161
0.195
0.86
MR
95%
1.32
Matthew Vetting
200555
3R0K
2.00
0.167
0.197
0.78
SAD
88%
1.46
Matthew Vetting
200604
3TCS
1.88
0.209
0.216
0.31
MR
63%
1.71
Subramaniam Eswaramoorthy
200636
3STP
1.88
0.166
0.185
0.61
MR
89%
1.57
Subramaniam Eswaramoorthy
200645
3SQS
1.90
0.187
0.208
0.79
MR
68%
2.15
Desigan Kumaran
200688
3RCY
1.99
0.148
0.181
0.73
MR
99%
1.41
Vladimir Malashkevich
200689
3T9P
1.97
0.183
0.219
0.85
SAD
93%
1.71
Rakhi Agarwal
200750
4E5T
2.90
0.168
0.242
0.02
MR
96%
2.56
Rajesh Prakash
200756
3SSZ
2.39
0.186
0.235
0.27
MR
91%
2.34
Zhening Zhang
200780
4E4U
1.35
0.134
0.146
1.05
MR
94%
1.41
Rajesh Prakash
200833
3T4W
2.52
0.186
0.240
0.28
MR
91%
2.23
Zhening Zhang
200834
3U4F
1.90
0.182
0.207
0.34
MR
95%
1.63
Subramaniam Eswaramoorthy
200881
3T8Q
2.00
0.153
0.193
0.85
MR
74%
2.02
Rakhi Agarwal
202090
4E6M
1.80
0.175
0.206
0.73
MR
94%
1.60
Vladimir Malashkevich
490003
3V4D
1.95
0.195
0.217
0.45
SAD
97%
1.26
Aleksandra Knapik
490004
3V48
2.10
0.172
0.226
0.59
SAD
94%
1.68
Aleksandra Knapik
491001
3V03
2.70
0.205
0.256
0.04
MR
98%
1.41
Karolina Majorek
491003
3V08
2.45
0.206
0.245
0.22
MR
81%
1.69
Karolina Majorek
491005
3V09
2.27
0.195
0.243
0.32
MR
96%
1.48
Karolina Majorek
Summary
Structures Statistics
Progress
Partnerships
Organisms
Homologs in PDB
Detailed target report