Receptor
PDB id Resolution Class Description Source Keywords
1YB5 1.85 Å EC: 1.6.5.5 CRYSTAL STRUCTURE OF HUMAN ZETA-CRYSTALLIN WITH BOUND NADP HOMO SAPIENS MEDIUM-CHAIN DEHYDROGENASE/REDUCTASE OXIDOREDUCTASE QUINONREDUCTION STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORT
Ref.: CRYSTAL STRUCTURE OF HUMAN ZETA-CRYSTALLIN AT 1.85A TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:812;
A:813;
B:811;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CL A:816;
A:818;
B:817;
B:819;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:814;
A:815;
A:820;
B:821;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAP A:801;
B:802;
Valid;
Valid;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YB5 1.85 Å EC: 1.6.5.5 CRYSTAL STRUCTURE OF HUMAN ZETA-CRYSTALLIN WITH BOUND NADP HOMO SAPIENS MEDIUM-CHAIN DEHYDROGENASE/REDUCTASE OXIDOREDUCTASE QUINONREDUCTION STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORT
Ref.: CRYSTAL STRUCTURE OF HUMAN ZETA-CRYSTALLIN AT 1.85A TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1YB5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1YB5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1YB5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YB5; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1yb5.bio2) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YB5; Ligand: NAP; Similar sites found: 467
This union binding pocket(no: 2) in the query (biounit: 1yb5.bio2) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BY8 MLT 0.02157 0.42106 None
2 1BXK NAD 0.001067 0.40044 1.1396
3 3G89 SAM 0.01617 0.41367 1.20482
4 4J4V SVR 0.009522 0.42129 1.20968
5 1HYE NAP 0.00009694 0.41401 1.27796
6 1E5F PLP 0.002515 0.42362 1.4245
7 1C0I FAD 0.0007502 0.40165 1.4245
8 1C0I BE2 0.0007502 0.40165 1.4245
9 1AE1 NAP 0.0006414 0.4195 1.4652
10 2AE2 PTO 0.00000006272 0.5084 1.53846
11 2AE2 NAP 0.001094 0.42067 1.53846
12 1O9U ADZ 0.002689 0.48132 1.7094
13 1Y42 TYR 0.004338 0.43733 1.7094
14 4DYO SD4 0.005499 0.42774 1.7094
15 2IXB NAD 0.003019 0.40468 1.7094
16 3H9E NAD 0.00295 0.41547 1.7341
17 2GN2 C5P 0.004055 0.41179 1.75439
18 2I7C AAT 0.000008787 0.44413 1.76678
19 2DBZ NAP 0.0002511 0.42303 1.79641
20 1DXY NAD 0.0005599 0.40585 1.8018
21 1HDG NAD 0.00558 0.40693 1.80723
22 1KYQ NAD 0.0005006 0.47776 1.82482
23 3D2Y AH0 ALA FGA LYS 0.0001467 0.46067 1.91571
24 3BHO B4P 0.001057 0.51294 1.92308
25 3MAG 3MA 0.007668 0.46545 1.9544
26 4B9E FAH 0.0007814 0.49181 1.99336
27 2Z9V PXM 0.0001855 0.49799 1.9943
28 3ABI NAD 0.0000816 0.46727 1.9943
29 1CER NAD 0.0007043 0.44055 1.9943
30 1TB4 PEJ 0.0007064 0.43134 1.9943
31 1LJ8 NAD 0.005417 0.41603 1.9943
32 1M2W NAD 0.005581 0.41251 1.9943
33 2NXW TPP 0.0000762 0.41151 1.9943
34 1U5R ATP 0.001113 0.43723 2.01149
35 2BD0 NAP 0.002309 0.40662 2.04918
36 4E5N NAD 0.00006843 0.46672 2.12121
37 1FX8 BOG 0.004297 0.41085 2.13523
38 1F3L SAH 0.0006394 0.42525 2.18069
39 4O0L NDP 0.003448 0.4025 2.18182
40 4JZ8 CIT 0.01719 0.43044 2.2082
41 1NYT NAP 0.0008224 0.44106 2.21402
42 3I51 45C 0.003705 0.42561 2.22222
43 1EQ2 NAP 0.004463 0.40063 2.25806
44 1GQ2 NAP 0.0001107 0.46566 2.2792
45 1P7T PYR 0.007161 0.44317 2.2792
46 1K6M AGS 0.0002034 0.4421 2.2792
47 3MPI GRA 0.0003965 0.41614 2.2792
48 1I2B USQ 0.008234 0.40621 2.2792
49 1I2B UPG 0.008234 0.40621 2.2792
50 2V6G NAP 0.001087 0.40597 2.2792
51 2RDT FMN 0.0009672 0.40576 2.2792
52 4OYA 1VE 0.00663 0.40199 2.2792
53 3I9U DTU 0.03077 0.40835 2.28137
54 3ZPG 5GP 0.002973 0.47901 2.35602
55 4MP8 NAD 0.0005614 0.42783 2.35988
56 4MP8 MLI 0.00007048 0.42069 2.35988
57 2C29 NAP 0.003045 0.40955 2.37389
58 4BVA NDP 0.0001955 0.43093 2.38806
59 4BVA T3 0.0008143 0.42313 2.38806
60 3BAZ NAP 0.0002067 0.46565 2.4024
61 1V6A TRE 0.0003445 0.49319 2.40964
62 9LDB NAD 0.0002537 0.44526 2.40964
63 9LDT NAD 0.000265 0.42684 2.40964
64 3B1F NAD 0.0004077 0.46469 2.41379
65 1LDM NAD 0.0003636 0.4424 2.43161
66 2HJR APR 0.0008042 0.4483 2.43902
67 1SOW NAD 0.0001189 0.44205 2.43902
68 2CVQ NDP 0.00002698 0.48953 2.44648
69 2Y7G AAE 0.003077 0.42026 2.48227
70 1LDN NAD 0.000428 0.41999 2.53165
71 4M5P MLA 0.00313 0.48695 2.5641
72 4M5P 23W 0.006331 0.4541 2.5641
73 2BH9 NAP 0.003054 0.44496 2.5641
74 3DGB MUC 0.001282 0.44431 2.5641
75 1SAY PYR 0.000317 0.43295 2.5641
76 4M5P FMN 0.000664 0.42855 2.5641
77 3JQ3 ADP 0.009725 0.41269 2.5641
78 2ORV 4TA 0.000986 0.41191 2.5641
79 1PEA ACM 0.006969 0.45197 2.5974
80 1QO0 BMD 0.01248 0.42707 2.5974
81 3DER ALA LYS 0.0008487 0.42485 2.6087
82 2EB5 OXL 0.00371 0.45206 2.62172
83 3RFV NAI 0.003352 0.41053 2.62172
84 1UF5 CDT 0.01459 0.4053 2.64026
85 1RZM PEP 0.004323 0.4374 2.66272
86 1Z44 NPO 0.03667 0.4352 2.66272
87 1Z44 FMN 0.004327 0.41861 2.66272
88 1RZM E4P 0.02508 0.41782 2.66272
89 1XX4 BAM 0.02676 0.40428 2.68199
90 3CMC NAD 0.003177 0.42231 2.69461
91 1Z6K OAA 0.04439 0.40641 2.73038
92 2CVZ NDP 0.004188 0.40932 2.76817
93 3OA2 NAD 0.001248 0.42466 2.83019
94 3OND ADN 0.00000002672 0.52982 2.849
95 2C5S AMP 0.001041 0.45883 2.849
96 2I3G NAP 0.0002288 0.44695 2.849
97 4LHM AZZ 0.004976 0.44013 2.849
98 4OOE NDP 0.0008551 0.43715 2.849
99 4FMS BDP 0.01663 0.42899 2.849
100 4L7I SAM 0.002189 0.42182 2.849
101 1QZZ SAM 0.004712 0.41714 2.849
102 3A06 NDP 0.001104 0.41344 2.849
103 3A06 FOM 0.001328 0.41301 2.849
104 2Q28 ADP 0.003039 0.40908 2.849
105 3OND NAD 0.00007889 0.40871 2.849
106 1C3V NDP 0.0001279 0.45648 2.85714
107 3P3N AKG 0.01981 0.41751 2.86533
108 2WA4 069 0.007376 0.41346 2.86533
109 3SJU NDP 0.003584 0.40187 2.86738
110 2B4R NAD 0.001261 0.419 2.89855
111 1GV0 NAD 0.000201 0.4283 2.90323
112 3V1Y NAD 0.0006154 0.44291 2.96736
113 3KB6 NAD 0.000686 0.43784 2.99401
114 1DSS NAD 0.0005224 0.40143 3.003
115 3SHR CMP 0.01143 0.40975 3.01003
116 2PV7 NAD 0.002021 0.41925 3.02013
117 2GCG NDP 0.00111 0.42664 3.0303
118 1ZZ7 S0H 0.01169 0.41819 3.0303
119 2JBH 5GP 0.002749 0.4407 3.11111
120 2A92 NAI 0.00008121 0.44781 3.11526
121 3P7I P7I 0.006903 0.42837 3.11526
122 3O2K DST 0.001281 0.46081 3.1339
123 4M51 BEZ 0.008669 0.44714 3.1339
124 3O2K QRP 0.003883 0.42937 3.1339
125 1GR0 NAD 0.0007121 0.4203 3.1339
126 2RGH FAD 0.0001332 0.41701 3.1339
127 4P53 NAI 0.0003475 0.41607 3.1339
128 1YBH FAD 0.003293 0.40679 3.1339
129 1J5P NAD 0.0003348 0.45019 3.16206
130 1NJR XYL 0.0005903 0.40913 3.16901
131 1ZJ6 G3D 0.002365 0.43352 3.20856
132 2B4Q NAP 0.001735 0.41638 3.26087
133 1SW1 PBE 0.04725 0.40443 3.27273
134 4ASJ N6A 0.002507 0.40191 3.41297
135 1WDA BAG 0.000675 0.46691 3.4188
136 2XDQ MGX 0.01481 0.44203 3.4188
137 1OBB NAD 0.00336 0.41888 3.4188
138 1P31 EPU 0.008638 0.41643 3.4188
139 1WDK NAD 0.000291 0.40406 3.4188
140 1QMG APX 0.01054 0.40073 3.4188
141 2PT9 2MH 0.000009878 0.43911 3.42679
142 1EZ4 NAD 0.0001157 0.47216 3.45912
143 3QDT A2G GAL 0.002366 0.47585 3.4965
144 3QDY A2G GAL 0.005392 0.45765 3.4965
145 3QDY CBS 0.01526 0.42848 3.4965
146 1TUV VK3 0.006536 0.4609 3.50877
147 1G0N PHH 0.0007339 0.42817 3.53357
148 1G0N NDP 0.0006187 0.42749 3.53357
149 3VPH NAD 0.000738 0.42234 3.54839
150 3VPH OXM 0.0006926 0.41687 3.54839
151 2Q46 NAP 0.0004354 0.44248 3.55731
152 1DIG NAP 0.002683 0.40419 3.59477
153 4QED NAP 0.000993 0.40418 3.62903
154 1HKU NAD 0.0002279 0.44701 3.63128
155 3WMX NAD 0.004385 0.40852 3.63128
156 4COQ SAN 0.002192 0.46288 3.64372
157 1V35 NAI 0.00009631 0.42211 3.64742
158 2Q9U FMN 0.0001338 0.46213 3.7037
159 4R5M NAP 0.0003544 0.44596 3.7037
160 4WB7 ATP 0.002232 0.43222 3.7037
161 4R5M 4NO 0.000659 0.42962 3.7037
162 4CCO OGA 0.01212 0.41749 3.7037
163 4F9C 0SX 0.01782 0.40819 3.7037
164 2VQD AP2 0.01243 0.40608 3.7037
165 1TV5 ORO 0.008181 0.40212 3.7037
166 1X7D ORN 0.0002932 0.43812 3.71429
167 1X7D NAD 0.0001872 0.42668 3.71429
168 1LTH NAD 0.0002828 0.46375 3.76176
169 2O4J VD4 0.0007398 0.40931 3.76712
170 2DT5 NAD 0.00005569 0.47728 3.79147
171 1GEE NAD 0.003691 0.4038 3.83142
172 3B1J NAD 0.001466 0.41918 3.83481
173 1R6D NAD 0.006712 0.40188 3.85757
174 1R6D DAU 0.006484 0.40169 3.85757
175 1ZQ9 SAM 0.0156 0.40459 3.85965
176 1Z45 NAD 0.003584 0.40429 3.86266
177 2FKA BEF 0.01782 0.40719 3.87597
178 1EYE PMM 0.002984 0.42943 3.92857
179 1ZK4 AC0 0.00000176 0.50455 3.98406
180 1ZK4 NAP 0.002058 0.40611 3.98406
181 3NGL NAP 0.0011 0.4497 3.98551
182 4KCT FDP 0.0003203 0.46873 3.9886
183 3LTW HLZ 0.001785 0.46709 3.9886
184 4KCT PYR 0.001812 0.44848 3.9886
185 2O4C NAD 0.0001557 0.43544 3.9886
186 2YPO PHE 0.00003095 0.41783 3.9886
187 1U1I NAD 0.001394 0.4098 3.9886
188 3KL3 DHI 0.009063 0.40738 3.9886
189 3CIF NAD 0.0008505 0.40491 3.9886
190 4WVH ASP HIS ASP ALA HIS ALA 0.01904 0.40445 3.9886
191 2QRK AMP 0.002972 0.40253 3.9886
192 4N02 FNR 0.001193 0.40143 3.9886
193 1O94 ADP 0.001604 0.4323 4.0625
194 1CF2 NAP 0.00002425 0.44799 4.1543
195 4KOA NDP 0.001264 0.43073 4.2042
196 1PZG A3D 0.0003063 0.4215 4.22961
197 2GZ3 NAP 0.00009942 0.46814 4.2735
198 1Q11 TYE 0.001809 0.45417 4.2735
199 1H0C AOA 0.007376 0.44402 4.2735
200 2R5T ANP 0.00176 0.41386 4.2735
201 2NSX IFM 0.02627 0.40667 4.2735
202 4P4T GDP 0.004921 0.40505 4.2735
203 2BII MTV 0.002648 0.40113 4.2735
204 1U8X NAD 0.006753 0.40094 4.2735
205 1W73 NAP 0.004656 0.41296 4.30464
206 1W8D NAP 0.004953 0.41183 4.30464
207 3ICC NAP 0.001621 0.41232 4.31373
208 1G8S MET 0.0009143 0.48083 4.34783
209 4CS4 AXZ 0.0003696 0.40819 4.37956
210 1XE7 GUN 0.003055 0.47838 4.4335
211 4PLG NAI 0.00009644 0.43842 4.49102
212 2NU8 COA 0.001636 0.42579 4.51389
213 1GUZ NAD 0.0001527 0.4291 4.51613
214 1S8F GDP 0.005016 0.41607 4.51977
215 2PR5 FMN 0.0004481 0.44301 4.54545
216 2Q09 DI6 0.0006974 0.4663 4.5584
217 3I8P 840 0.0002004 0.4658 4.5584
218 1KTC NGA 0.004812 0.43533 4.5584
219 2PP3 LGT 0.003038 0.42467 4.5584
220 1EBF NAD 0.0001236 0.41739 4.5584
221 2BLE 5GP 0.001506 0.40332 4.5584
222 4Q3S X7A 0.002163 0.40244 4.5584
223 4Q0A 4OA 0.002069 0.41878 4.63576
224 1F1V DHY 0.004671 0.4308 4.64396
225 2F1K NAP 0.001217 0.43097 4.6595
226 3EGV SAH 0.01675 0.40625 4.72441
227 2NXE SAM 0.0169 0.40298 4.72441
228 4IMG NGF 0.000988 0.42644 4.77816
229 1I0Z OXM 0.01468 0.44224 4.8048
230 1I0Z NAI 0.0006785 0.43201 4.8048
231 1V8B NAD 0.00004287 0.46714 4.8433
232 2B5W NAP 0.00002764 0.46589 4.8433
233 2NCD ADP 0.008321 0.42989 4.8433
234 3DG6 MUC 0.002818 0.42596 4.8433
235 2QV7 ADP 0.004804 0.41282 4.8433
236 4OKD GLC GLC GLC 0.035 0.41193 4.8433
237 2YYY NAP 0.0006531 0.41101 4.8433
238 2FR1 NDP 0.001874 0.40998 4.8433
239 2FJK 13P 0.02114 0.41515 4.91803
240 2EV9 NAP 0.0009675 0.41053 4.94297
241 3OCZ SRA 0.001362 0.42952 4.96183
242 2Q37 3AL 0.008742 0.42891 4.97238
243 2Z9C FMN 0.001244 0.42288 5
244 3OID NDP 0.002168 0.40072 5.03876
245 3A2Y TS5 0.001031 0.43405 5.07614
246 1ODJ GMP 0.02392 0.40528 5.10638
247 4IXW IXW 0.008556 0.41947 5.11811
248 2IZ1 ATR 0.003643 0.45243 5.12821
249 1T10 F6P 0.002706 0.45225 5.12821
250 1E5Q NDP 0.0004369 0.44242 5.12821
251 4RJK PYR 0.01537 0.43443 5.12821
252 4RJK TPP 0.0001026 0.43208 5.12821
253 4RJK TDL 0.00005872 0.432 5.12821
254 1CKM GTP 0.002154 0.44526 5.15152
255 2O66 FLC 0.003956 0.4447 5.18518
256 2WMO GTP 0.005833 0.41348 5.26316
257 1W7J ADP BEF 0.0003704 0.45067 5.29801
258 2Q1S NAI 0.001379 0.42008 5.30504
259 1WB4 SXX 0.01604 0.42678 5.38721
260 4EI7 GDP 0.0119 0.40119 5.39846
261 1UXG FUM 0.00000006311 0.50487 5.41311
262 1UXG NAD 0.0003113 0.43841 5.41311
263 4PNI KQQ 0.0003024 0.4285 5.41311
264 3A1I UNU 0.00594 0.42165 5.41311
265 2FN1 SAL 0.02507 0.41519 5.41311
266 1EK6 UPG 0.004423 0.41038 5.45977
267 2V5E SCR 0.007289 0.46667 5.5
268 2QLX RM4 0.0113 0.43491 5.55556
269 4OB6 S2T 0.0006275 0.44678 5.57185
270 1T26 GBD 0.0000005281 0.53027 5.59006
271 1T26 NAI 0.0002316 0.44786 5.59006
272 1BW9 NAD 0.0009208 0.44938 5.61798
273 1BXG NAD 0.0005231 0.40739 5.61798
274 1C1X NAD 0.0005569 0.44466 5.6338
275 4DPL NAP 0.0005448 0.43566 5.69801
276 1MUU NAD 0.00142 0.43133 5.69801
277 2IMP NAI 0.001104 0.41818 5.69801
278 3FC4 EDO 0.0004362 0.41494 5.69801
279 2WPF WPF 0.02166 0.40197 5.69801
280 1LOJ U 0.02304 0.425 5.74713
281 2Q0L NAP 0.01546 0.41117 5.78778
282 4J4H 1J1 0.0006318 0.43272 5.79151
283 4J4H NAI 0.0007702 0.43252 5.79151
284 1SQ5 ADP 0.003103 0.42874 5.84416
285 1SQ5 PAU 0.02123 0.40663 5.84416
286 2BVE PH5 0.01293 0.42767 5.88235
287 3S9K CIT 0.0007493 0.54536 5.9322
288 1O6Z NAD 0.00009472 0.4219 5.94059
289 1QDS PGA 0.002557 0.43694 5.9761
290 1VKO NAD 0.0002579 0.44196 5.98291
291 2RHQ GAX 0.001716 0.41073 5.98291
292 1ULE GLA GAL NAG 0.004831 0.46008 6
293 1B63 ANP 0.0007898 0.42215 6.00601
294 2JAP NDP 0.001651 0.41457 6.07287
295 4JK3 NAD 0.0001507 0.42384 6.17761
296 3QV9 QV7 0.0009483 0.47309 6.26781
297 1NVM NAD 0.0007424 0.42767 6.26781
298 1RKX NAD 0.002789 0.40598 6.26781
299 1HDO NAP 0.00244 0.40105 6.31068
300 4K28 NAD 0.000126 0.47447 6.3197
301 2Y7P SAL 0.006639 0.42912 6.42202
302 4JWX 1N4 0.005365 0.43323 6.42857
303 2IYG FMN 0.001669 0.43966 6.45161
304 1W3R PYR 0.01168 0.44054 6.48148
305 2Q8H TF4 0.001259 0.49875 6.55271
306 2ZWS PLM 0.01179 0.46395 6.55271
307 2V6O FAD 0.0001686 0.44064 6.55271
308 1SJD NPG 0.001053 0.41099 6.55271
309 1RYI FAD 0.00329 0.40402 6.55271
310 2C2A ADP 0.001439 0.42863 6.58915
311 1GS5 ANP 0.000213 0.40146 6.58915
312 1GS5 NLG 0.000213 0.40146 6.58915
313 1YRX FMN 0.0008748 0.446 6.61157
314 2E1A MSE 0.00839 0.41984 6.66667
315 1XG5 NAP 0.0007272 0.42801 6.81004
316 1O0S NAI 0.0002033 0.47367 6.83761
317 3NFZ 3NF 0.0008685 0.45117 6.83761
318 3CV2 OXL 0.01072 0.42691 6.83761
319 1BZL FAD 0.01311 0.41021 6.83761
320 2EJU SAH 0.003818 0.40907 6.83761
321 3UEC ALA ARG TPO LYS 0.003084 0.4626 6.84932
322 3RF4 FUN 0.002512 0.44786 6.89655
323 1A5Z OXM 0.02163 0.42683 6.89655
324 1A5Z NAD 0.003596 0.42375 6.89655
325 1A5Z FBP 0.001412 0.42092 6.89655
326 2Q4G CIT 0.0384 0.40921 6.97674
327 3AFN NAP 0.002049 0.40078 6.97674
328 1QD0 RR6 0.0005222 0.46013 7.03125
329 1JAY NAP 0.001617 0.43879 7.07547
330 3ULK NDP 0.00001702 0.40631 7.12251
331 4MDH NAD 0.00007904 0.47502 7.18563
332 3CF6 SP1 0.005483 0.41061 7.18563
333 5MDH NAD 0.00007226 0.47657 7.20721
334 3FPZ AHZ 0.001111 0.4181 7.36196
335 1EDO NAP 0.0006199 0.41712 7.37705
336 2VHW NAI 0.00006991 0.45944 7.40741
337 3TFC PEP 0.00882 0.42364 7.40741
338 3QWI CUE 0.001449 0.41723 7.40741
339 3QWI NAP 0.0006085 0.41576 7.40741
340 3KMT SAH 0.004643 0.41739 7.56302
341 4E28 0MZ 0.007288 0.43253 7.69231
342 3MBC NAP 0.02014 0.42498 7.69231
343 4E28 9MZ 0.0174 0.42019 7.69231
344 1ZMD NAI 0.006074 0.40541 7.69231
345 3LU1 NAD 0.003009 0.40473 7.69231
346 4TQG NDP 0.0007328 0.4051 7.73994
347 3D3W NAP 0.002648 0.40205 7.78689
348 1KEW NAD 0.006175 0.40172 7.97721
349 1K3T BRZ 0.002127 0.40073 7.97721
350 3NOJ PYR 0.02255 0.40766 7.98319
351 1C1L GAL BGC 0.003483 0.46001 8.0292
352 3CH6 311 0.00757 0.40482 8.04196
353 4K30 NLG 0.01127 0.41891 8.125
354 3HNB 768 0.009405 0.42327 8.1761
355 3F81 STT 0.02551 0.42943 8.19672
356 2JFV FLC 0.002573 0.45958 8.24742
357 3PLN U5P 0.003602 0.44091 8.26211
358 2NAD NAD 0.0004781 0.42785 8.26211
359 1MZV AMP 0.005223 0.42399 8.51064
360 2FYU FDN 0.00504 0.40467 8.71369
361 1MXI SAH 0.0005144 0.44082 8.75
362 1JA9 NDP 0.0007057 0.41523 8.75912
363 3RKR NAP 0.02647 0.4101 8.77863
364 1YOA FMN 0.01184 0.46385 8.80503
365 1YOA FAD 0.00115 0.41662 8.80503
366 2GSD NAD 0.0003956 0.42572 9.11681
367 1VE3 SAM 0.004402 0.40682 9.2511
368 3B9Q MLI 0.04313 0.41583 9.27152
369 1WP4 NDP 0.0009214 0.43277 9.34256
370 1RHC F42 ACN 0.000114 0.42367 9.39394
371 3M89 GSP 0.007091 0.43528 9.68661
372 1B8U NAD 0.00002346 0.42663 9.72644
373 1B8U OAA 0.0003319 0.4262 9.72644
374 1P77 ATR 0.01126 0.43815 9.92647
375 1ME8 RVP 0.003969 0.40101 9.97151
376 1HYH NAD 0.0001859 0.45035 10.0324
377 1KOL NAD 0.0001173 0.45128 10.0503
378 1N9L FMN 0.0003622 0.44637 10.0917
379 4NBT NAD 0.004307 0.40368 10.4167
380 1T0S BML 0.003859 0.46504 10.4651
381 3WBF NAP 0.0001694 0.45845 10.8197
382 3WBF API 0.0005697 0.42645 10.8197
383 2F2U M77 0.0008913 0.45604 10.8262
384 1NVV GNP 0.001469 0.40049 10.8434
385 1OMO NAD 0.0001832 0.41542 10.8696
386 3I0O ADP 0.0006853 0.46081 10.9145
387 3I0O SMI 0.01545 0.41753 10.9145
388 3HB5 E2B 0.001786 0.40357 11.1111
389 1Y9Q MED 0.005173 0.44522 11.4583
390 2Y6P CTP 0.0008849 0.45618 11.5385
391 1VL8 NAP 0.001887 0.40743 11.6105
392 1FIQ SAL 0.0001627 0.40287 11.7143
393 1P4C FMN 0.001666 0.40632 11.9658
394 3JV7 NAD 0.0000009073 0.54215 12.1739
395 4MTI 2DX 0.02641 0.41912 12.1739
396 3QV1 NAD 0.004063 0.40985 12.1951
397 1VBO MAN MAN MAN 0.01902 0.42915 12.7517
398 1VBO MAN 0.02518 0.42039 12.7517
399 2YX1 SFG 0.02336 0.40579 12.8205
400 2A2X NA9 0.004343 0.40703 13.1274
401 1J49 NAD 0.0002486 0.42373 13.2132
402 2OFE NAG 0.001682 0.46831 13.3803
403 3KJQ B94 0.00706 0.41423 13.6842
404 4F8L GAL 0.009529 0.46931 13.7931
405 4RQU NAD 0.0000626 0.47529 13.9601
406 1VI2 NAD 0.004469 0.41966 14
407 3NRZ MTE 0.005761 0.42116 14.0984
408 1XIU REA 0.006375 0.40443 14.3478
409 4F4S EFO 0.009047 0.42315 14.4737
410 1QF5 GDP 0.000426 0.41057 14.5299
411 1QF5 RPL 0.000426 0.41057 14.5299
412 2HK9 NAP 0.0003572 0.41108 14.5455
413 1LTI GAL 0.02969 0.41138 14.5833
414 1NPD NAD 0.005675 0.40936 14.5833
415 3ZX4 2M8 0.02378 0.40885 14.6718
416 1ECM TSA 0.004701 0.43068 14.6789
417 1LVL NAD 0.01111 0.40532 14.8148
418 1X1T NAD 0.002653 0.40202 15
419 1SS4 GSH 0.0003644 0.56004 15.0327
420 1SS4 CIT 0.0004205 0.5338 15.0327
421 1EB9 HBA 0.005246 0.41948 16.4122
422 2ZB3 NDP 0.000001793 0.49479 16.8091
423 3KPE TM3 0.004033 0.45034 17.9487
424 4NBU NAI 0.002411 0.40837 18.4
425 2YVJ NAI 0.001335 0.4537 18.5185
426 4PTZ FMN 0.003058 0.41638 19.3717
427 2QCX PF1 0.00774 0.43133 19.7719
428 1BTN I3P 0.0009983 0.52979 19.8113
429 1Q7B NAP 0.003217 0.40609 20.4918
430 1Y75 NAG 0.003251 0.43757 22.8814
431 1N9G NAP 0.0000005458 0.49622 23.3618
432 2Q2V NAD 0.0009684 0.41285 23.9216
433 2FR6 CTN 0.00137 0.42532 23.9726
434 2FR6 URI 0.002739 0.41434 23.9726
435 3VPB GLU 0.01869 0.42851 25
436 5H81 NAP 0.01047 0.43069 25.4499
437 2ZB4 5OP 0.0000007224 0.53483 25.641
438 2ZB4 NAP 0.0000006514 0.53483 25.641
439 1D1T NAD 0.000003834 0.5098 25.641
440 4W6Z 8ID 0.00000002547 0.58424 25.6484
441 1KEV NDP 0.000002542 0.50835 25.9259
442 1YKF NAP 0.00001081 0.50091 26.2108
443 3B6Z CO7 0.00007556 0.44882 27.0655
444 1VM6 NAD 0.0003135 0.40732 27.193
445 3TWO NDP 0.000001859 0.5076 27.8736
446 1YQD NAP 0.000009056 0.49217 27.9202
447 4B7X NAP 0.0000001449 0.55778 30.6548
448 2DM6 NAP 0.0000000365 0.54731 31.2312
449 2DM6 IMN 0.00000008061 0.53015 31.2312
450 4GKV NAD 0.0000004549 0.53523 31.25
451 3WLE NAD 0.000001107 0.52478 31.6239
452 2FZW NAD 0.00002653 0.48408 32.4786
453 1E3I CXF 0.000006595 0.48382 33.9031
454 1F8F NAD 0.000005567 0.53 35.8974
455 5DOZ NDP 0.003033 0.42914 36.0947
456 1P0F NAP 0.000002453 0.5016 36.7292
457 1CDO NAD 0.00001818 0.45344 37.1658
458 1LLU NAD 0.0000002326 0.54571 37.4269
459 1U3U BNF 0.00002087 0.44142 37.9679
460 1PL6 572 0.00002853 0.46491 38.7464
461 1PL6 NAD 0.000003645 0.45209 38.7464
462 4A0S NAP 0.001243 0.45002 39.6011
463 1H2B NAJ 0.0000007674 0.53133 40.4558
464 3GFB NAD 0.000003417 0.52906 40.8571
465 2DFV NAD 0.000003298 0.48155 42.6513
466 1R37 NAD 0.00000004607 0.57101 47.5504
467 4IDC 1XX 0.00000006051 0.56224 48.494
Pocket No.: 3; Query (leader) PDB : 1YB5; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1yb5.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1YB5; Ligand: NAP; Similar sites found: 44
This union binding pocket(no: 4) in the query (biounit: 1yb5.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DN9 NAD 0.000276 0.43244 1.4245
2 5HTX ADP 0.03753 0.40223 1.4245
3 5M67 NAD 0.00009534 0.46883 2.2792
4 5M67 3D1 0.0001018 0.46775 2.2792
5 5M67 ADE 0.0001056 0.46715 2.2792
6 4XQC 13D 0.0008002 0.42992 2.5641
7 4XQC NAD 0.0007598 0.42973 2.5641
8 4YCA NDP 0.002446 0.41875 2.72109
9 5JE8 NAD 0.0005401 0.44855 2.98013
10 4XB2 NDP 0.00006481 0.42329 2.98507
11 4XB2 HSE 0.0004211 0.42278 2.98507
12 4ZBY URA 0.01551 0.4201 3.09278
13 5KKA 6V0 0.0003159 0.4266 3.20513
14 4J7U YTZ 0.001981 0.41321 4.16667
15 4J7U NAP 0.001981 0.41321 4.16667
16 4XYB NDP 0.0003021 0.4337 4.2735
17 3WXB NDP 0.001282 0.41872 4.30108
18 2EV9 SKM 0.0009675 0.41053 4.94297
19 5GZ6 NDP 0.001854 0.4397 5.52147
20 5GZ6 7C3 0.002813 0.42517 5.52147
21 5UAV TFB 0.0008219 0.42058 5.59006
22 5UAV NDP 0.0008219 0.42058 5.59006
23 1J0X NAD 0.002622 0.40966 6.3253
24 5MQ6 NDP 0.00722 0.40774 6.83761
25 5AOA PPI 0.03533 0.42003 6.99301
26 5GT9 NAP 0.0002737 0.42537 7.98479
27 3CH6 NAP 0.00757 0.40482 8.04196
28 1UWK NAD 0.003026 0.40921 11.1111
29 5U8U FAD 0.0106 0.40098 11.1111
30 4YGM URA 0.0428 0.4041 13.3621
31 3NJ4 NAD 0.0006222 0.47267 13.6752
32 3NJ4 AFX 0.001405 0.45772 13.6752
33 4WAS NAP 0.0000008321 0.52928 17.9487
34 4WAS COO 0.000006845 0.49606 17.9487
35 5THQ NDP 0.0006792 0.41048 18.75
36 5VKT NAP 0.00002762 0.45875 19.6581
37 3WQQ IB3 0.00309 0.40504 21.6524
38 2CDC NAP 0.0004179 0.45634 22.5071
39 5FI3 NAP 0.000008369 0.47507 31.3725
40 1U3U NAD 0.00002087 0.44142 37.9679
41 2JHF NAD 0.0000158 0.54612 38.4615
42 4JBI NDP 0.000001752 0.48104 42.735
43 5DP2 NAP 0.0000008605 0.50101 43.8596
44 4IDC NDP 0.00000006051 0.56224 48.494
45 4RVU NDP 0.0000009243 0.52415 50
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