Receptor
PDB id Resolution Class Description Source Keywords
4A0S 1.9 Å EC: 7.-.-.- STRUCTURE OF THE 2-OCTENOYL-COA CARBOXYLASE REDUCTASE CINF I COMPLEX WITH NADP AND 2-OCTENOYL-COA STREPTOMYCES SP. OXIDOREDUCTASE TRANSFERASE CINNABARAMIDE PKS BIOSYNTHESIS
Ref.: UNUSUAL CARBON FIXATION GIVING RISE TO DIVERSE POLY EXTENDER UNITS NAT.CHEM.BIOL. V. 8 117 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO8 A:1446;
B:1447;
C:1446;
D:1446;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
893.73 C29 H50 N7 O17 P3 S CCCCC...
NAP A:1447;
B:1446;
C:1445;
D:1445;
Valid;
Valid;
Valid;
Valid;
none;
none;
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
4A0S 1.9 Å EC: 7.-.-.- STRUCTURE OF THE 2-OCTENOYL-COA CARBOXYLASE REDUCTASE CINF I COMPLEX WITH NADP AND 2-OCTENOYL-COA STREPTOMYCES SP. OXIDOREDUCTASE TRANSFERASE CINNABARAMIDE PKS BIOSYNTHESIS
Ref.: UNUSUAL CARBON FIXATION GIVING RISE TO DIVERSE POLY EXTENDER UNITS NAT.CHEM.BIOL. V. 8 117 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 4A0S - 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 217 families.
1 4A0S - 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 181 families.
1 4A0S - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CO8; Similar ligands found: 135
No: Ligand ECFP6 Tc MDL keys Tc
1 CO8 1 1
2 UCC 0.992126 1
3 5F9 0.992126 1
4 MFK 0.992126 1
5 ST9 0.992126 1
6 MYA 0.992126 1
7 DCC 0.992126 1
8 HXC 0.953125 1
9 BCO 0.884615 0.977528
10 YNC 0.869565 0.945055
11 HDC 0.868613 1
12 GRA 0.865672 0.955556
13 1HE 0.856061 0.956044
14 1VU 0.854962 0.988764
15 SCA 0.843284 0.955556
16 3HC 0.842105 0.966292
17 IVC 0.842105 0.966292
18 CS8 0.834532 0.988889
19 MLC 0.828358 0.955556
20 ACO 0.824427 0.988764
21 HGG 0.823529 0.955556
22 MRS 0.822695 1
23 MRR 0.822695 1
24 CAA 0.822222 0.966292
25 NHW 0.815603 0.977778
26 NHM 0.815603 0.977778
27 UOQ 0.815603 0.977778
28 0ET 0.814286 0.977778
29 3KK 0.81203 0.977528
30 8Z2 0.811189 0.988889
31 COS 0.80916 0.934066
32 CAO 0.80916 0.923913
33 OXK 0.80597 0.955556
34 FAQ 0.804348 0.955556
35 0T1 0.8 0.955056
36 CO6 0.8 0.977528
37 2MC 0.794118 0.935484
38 TGC 0.792857 0.945055
39 FYN 0.785185 0.955056
40 DCA 0.784615 0.955056
41 COO 0.782609 0.955556
42 MCA 0.782609 0.966667
43 COK 0.779412 0.934066
44 SOP 0.779412 0.955556
45 MC4 0.776978 0.925532
46 CMC 0.773723 0.934066
47 COA 0.772727 0.955056
48 IRC 0.771429 0.966292
49 COW 0.771429 0.945055
50 1GZ 0.771429 0.945055
51 BYC 0.771429 0.955556
52 AMX 0.768657 0.94382
53 30N 0.768657 0.876289
54 CAJ 0.768116 0.955556
55 BCA 0.765957 0.945055
56 COA MYR 0.763889 0.966667
57 COA PLM 0.763889 0.966667
58 PLM COA 0.763889 0.966667
59 CMX 0.762963 0.933333
60 A1S 0.76259 0.955556
61 2NE 0.762238 0.934783
62 COF 0.758865 0.913979
63 3CP 0.758865 0.934066
64 ETB 0.757576 0.922222
65 HAX 0.751825 0.913043
66 2CP 0.751773 0.945055
67 SCO 0.75 0.933333
68 1CZ 0.75 0.945055
69 NMX 0.748201 0.865979
70 2KQ 0.746479 0.977778
71 FAM 0.744526 0.913043
72 FCX 0.744526 0.903226
73 SCD 0.742857 0.933333
74 4CA 0.741259 0.923913
75 MCD 0.741007 0.955556
76 CA6 0.741007 0.887755
77 WCA 0.734694 0.934783
78 4KX 0.72973 0.924731
79 CCQ 0.726027 0.935484
80 CIC 0.726027 0.934066
81 0FQ 0.721088 0.934066
82 4CO 0.721088 0.923913
83 DAK 0.72 0.924731
84 01A 0.716216 0.894737
85 HFQ 0.713333 0.913979
86 1CV 0.711409 0.955556
87 CA8 0.710345 0.868687
88 YE1 0.708333 0.923077
89 1HA 0.707792 0.934783
90 UCA 0.70625 0.977778
91 NHQ 0.705882 0.944444
92 S0N 0.702703 0.913043
93 01K 0.692308 0.955556
94 CA3 0.679245 0.934066
95 COT 0.677215 0.934066
96 CA5 0.668712 0.894737
97 CO7 0.662162 0.955556
98 93P 0.654545 0.923913
99 93M 0.64497 0.923913
100 COD 0.628571 0.94382
101 HMG 0.605096 0.923077
102 4BN 0.6 0.93617
103 5TW 0.6 0.93617
104 JBT 0.592391 0.916667
105 OXT 0.588889 0.93617
106 BSJ 0.551913 0.904255
107 191 0.52795 0.887755
108 PAP 0.51938 0.775281
109 RFC 0.5 0.956044
110 SFC 0.5 0.956044
111 ACE SER ASP ALY THR NH2 COA 0.487179 0.913043
112 PPS 0.485075 0.721649
113 A3P 0.472868 0.764045
114 0WD 0.470968 0.755319
115 1ZZ 0.461538 0.866667
116 OMR 0.444444 0.877778
117 S2N 0.43662 0.688889
118 PTJ 0.431507 0.833333
119 MDE 0.421875 0.978022
120 PUA 0.420732 0.784946
121 A22 0.41958 0.777778
122 MYR AMP 0.418919 0.846154
123 NA7 0.417808 0.820225
124 3AM 0.415385 0.752809
125 YLB 0.414013 0.888889
126 PAJ 0.413793 0.844444
127 ATR 0.410072 0.764045
128 5SV 0.406897 0.853933
129 WAQ 0.405405 0.822222
130 YLP 0.403846 0.888889
131 A2D 0.402985 0.766667
132 A2R 0.402778 0.777778
133 3OD 0.402685 0.788889
134 AGS 0.4 0.791209
135 SAP 0.4 0.791209
Ligand no: 2; 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 : 4A0S; Ligand: CO8; 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: 4a0s.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4A0S; Ligand: CO8; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 4a0s.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KL3 DHI 0.0252 0.44204 2.99252
2 3WXL ADP 0.04795 0.40033 9.17226
Pocket No.: 3; Query (leader) PDB : 4A0S; Ligand: NAP; Similar sites found: 170
This union binding pocket(no: 3) in the query (biounit: 4a0s.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WQQ NDP 0.003322 0.41076 1.11857
2 3WQQ IB3 0.003322 0.41076 1.11857
3 1CER NAD 0.000791 0.43443 1.20846
4 1GQ2 NAP 0.0005841 0.42166 1.34228
5 3UOY FAD 0.009366 0.40985 1.34228
6 3UOY NAP 0.009366 0.40985 1.34228
7 2DBZ NAP 0.0007793 0.41821 1.49701
8 2NAD NAD 0.001186 0.42125 1.52672
9 1HYH NAD 0.002141 0.40646 1.61812
10 5DN9 NAD 0.0007868 0.4254 1.64835
11 1X7D ORN 0.003118 0.40761 1.71429
12 1X7D NAD 0.002174 0.40101 1.71429
13 1E5Q NDP 0.0002645 0.44659 1.78971
14 5JWC FAD 0.002532 0.40877 1.78971
15 3KB6 NAD 0.0008715 0.42966 1.79641
16 1J49 NAD 0.0007951 0.4173 1.8018
17 2Z3Y F2N 0.006197 0.40212 2.01342
18 4YCA NDP 0.003292 0.40978 2.04082
19 1BZL FAD 0.02292 0.40553 2.23714
20 2ZB4 NAP 0.0000002549 0.56371 2.2409
21 2ZB4 5OP 0.0000002824 0.56371 2.2409
22 2ZB3 NDP 0.0003727 0.46453 2.26629
23 4EMI NAD 0.003748 0.42289 2.43902
24 5GZ6 NDP 0.0008467 0.45065 2.45399
25 5GZ6 7C3 0.001391 0.43423 2.45399
26 2CDC XYP 0.0003482 0.46805 2.45902
27 2CDC NAP 0.0004508 0.46345 2.45902
28 2CDC XYS 0.0004508 0.46345 2.45902
29 1V8B NAD 0.0001327 0.45865 2.46085
30 3NJ4 NAD 0.001488 0.46416 2.52874
31 3NJ4 AFX 0.001488 0.46416 2.52874
32 3CIF NAD 0.0005323 0.42305 2.78552
33 1U1I NAD 0.002935 0.40514 3.06122
34 1BXG NAD 0.0001415 0.43742 3.08989
35 1C1X NAD 0.0001467 0.43701 3.09859
36 5UAV NDP 0.0009433 0.42625 3.10559
37 5UAV TFB 0.0009433 0.42625 3.10559
38 1NPD NAD 0.001863 0.42568 3.125
39 5M67 NAD 0.000245 0.46215 3.13199
40 5M67 ADE 0.0002717 0.46036 3.13199
41 2GZ3 NAP 0.0002739 0.46022 3.13199
42 5M67 3D1 0.0002949 0.45895 3.13199
43 2VVM FAD 0.005812 0.40035 3.13199
44 2O4C NAD 0.0003694 0.43485 3.15789
45 2VZ6 FEF 0.02682 0.40651 3.19489
46 5JE8 NAD 0.005038 0.40508 3.31126
47 2DT5 NAD 0.0001308 0.45834 3.31754
48 3V1Y NAD 0.0007716 0.43486 3.56083
49 5MDH NAD 0.001778 0.4011 3.6036
50 3NGL NAP 0.00697 0.4107 3.62319
51 4E5N NAD 0.0001756 0.44687 3.63636
52 1P77 ATR 0.009671 0.43819 3.67647
53 3ABI NAD 0.0002995 0.43549 3.83562
54 4DPL NAP 0.0002971 0.44146 3.89972
55 1SW1 PBE 0.04278 0.40536 4
56 2JHF NAD 0.00004683 0.53599 4.27807
57 1P0F NAP 0.0000001777 0.5603 4.28954
58 2FZW NAD 0.000001223 0.54675 4.28954
59 1YJQ NAP 0.001812 0.41179 4.29043
60 5N2I NAP 0.0004831 0.40282 4.31034
61 1NVM NAD 0.0003293 0.43671 4.34783
62 1SC6 NAD 0.0005594 0.42957 4.45545
63 1J0X NAD 0.0022 0.41971 4.51807
64 1U3U BNF 0.000003875 0.52586 4.54545
65 1U3U NAD 0.000003875 0.52586 4.54545
66 4KP7 NAP 0.003633 0.41483 4.68384
67 4KP7 1UQ 0.003026 0.4143 4.68384
68 1KOL NAD 0.01718 0.40442 4.77387
69 3CMC NAD 0.004334 0.42367 4.79042
70 1CDO NAD 0.000003016 0.49469 4.81283
71 2VYN NAD 0.0007884 0.41682 4.83384
72 3HAD NAD 0.005626 0.40814 4.87013
73 5JCM ISD 0.008852 0.41024 4.9217
74 5JCM FAD 0.008544 0.41024 4.9217
75 5JCM NAD 0.008855 0.41023 4.9217
76 4J4H 1J1 0.0002608 0.45905 5.01931
77 4J4H NAI 0.0002608 0.45905 5.01931
78 4JK3 NAD 0.00005434 0.45285 5.01931
79 1E3I CXF 0.0000007411 0.50378 5.05319
80 4RQU NAD 0.000003576 0.50083 5.06667
81 1PZG A3D 0.003084 0.4078 5.13595
82 2Q0L NAP 0.02033 0.40208 5.14469
83 1MO9 KPC 0.01196 0.41211 5.14541
84 1MO9 FAD 0.01285 0.41027 5.14541
85 1UWK NAD 0.005709 0.40532 5.14541
86 1UWK URO 0.005709 0.40532 5.14541
87 2XKO AKG 0.04573 0.40422 5.61798
88 4BG4 ARG 0.04666 0.40091 5.61798
89 2BES RES 0.0297 0.4007 5.81395
90 1LDN NAD 0.003119 0.40037 6.01266
91 2I3G NAP 0.0003786 0.43445 6.25
92 2F1K NAP 0.001185 0.40514 6.45161
93 1YKF NAP 0.00004499 0.47245 6.53409
94 2FKA BEF 0.01515 0.43795 6.97674
95 4K28 NAD 0.0007716 0.43811 7.0632
96 2QZZ NAP 0.004377 0.40198 7.2327
97 2QZZ EMF 0.004668 0.40198 7.2327
98 1MUU NAD 0.00115 0.43108 7.33945
99 4XQC NAD 0.000999 0.4331 7.38255
100 4XQC 13D 0.001362 0.42883 7.38255
101 2H3H BGC 0.02047 0.4165 7.66773
102 1F06 2NP 0.0005484 0.43263 7.8125
103 1F06 NDP 0.0005484 0.43263 7.8125
104 2B4R NAD 0.0006942 0.42466 7.82609
105 2B4R AES 0.00254 0.40111 7.82609
106 1F8F NAD 0.03189 0.40671 8.08625
107 2Q46 NAP 0.002027 0.41258 8.3004
108 2GCG NDP 0.002371 0.4004 8.48485
109 2WPF FAD 0.02715 0.40191 8.50112
110 4ZGS NAD 0.0007137 0.40773 8.54922
111 2CVQ NDP 0.0003876 0.4402 9.17431
112 2VHW NAI 0.0004111 0.43998 9.28382
113 3OND ADN 0.0002137 0.46349 9.39597
114 3OND NAD 0.0002137 0.46349 9.39597
115 2C29 NAP 0.003776 0.41054 9.49555
116 2DM6 IMN 0.00000004078 0.5977 9.90991
117 2DM6 NAP 0.00000008753 0.58321 9.90991
118 2QRK AMP 0.00113 0.42562 10.1523
119 2A92 NAI 0.001202 0.41716 10.5919
120 2DC1 NAD 0.001361 0.4047 10.5932
121 1EZ4 NAD 0.001496 0.40178 10.6918
122 4BVA NDP 0.0003363 0.43637 10.7463
123 4BVA T3 0.0007126 0.4333 10.7463
124 1KEV NDP 0.00004762 0.47266 11.6809
125 4F8L AES 0.03929 0.41181 11.7241
126 1NYT NAP 0.000341 0.45247 11.8081
127 3VPH NAD 0.002444 0.40691 12.5806
128 3VPH OXM 0.003164 0.4051 12.5806
129 4HXY NDP 0.003425 0.40015 13.242
130 2EV9 NAP 0.001778 0.41079 13.308
131 2EV9 SKM 0.001778 0.41079 13.308
132 1EBF NAD 0.0006491 0.40857 13.6872
133 5KKA 6V0 0.001294 0.41596 13.7821
134 1NVT NAP 0.0004942 0.41248 14.9826
135 1YQD NAP 0.0000002692 0.55552 15.0273
136 3EGI ADP 0.04625 0.40161 16.0194
137 4B7X NAP 0.00000007693 0.57593 16.9643
138 3QV1 NAD 0.0007516 0.40632 18.2927
139 2PV7 NAD 0.001222 0.42392 19.7987
140 3WLE NAD 0.0000001907 0.56675 19.9413
141 2HK9 NAP 0.000619 0.41581 20.3636
142 5VKT NAP 0.0000007187 0.5316 21.2707
143 1H2B NAJ 0.0001556 0.48622 21.727
144 3JV7 NAD 0.0000003035 0.54514 21.7391
145 3B6Z CO7 0.0003535 0.43703 21.8329
146 3GGO NAI 0.003157 0.41162 23.5669
147 3GGO ENO 0.003157 0.41162 23.5669
148 3TWO NDP 0.00000006931 0.58157 26.4368
149 1N9G NAP 0.000001212 0.50713 26.6839
150 1D1T NAD 0.000001388 0.51916 26.8097
151 4WAS NAP 0.000004718 0.51376 28.2967
152 4WAS COO 0.000007891 0.50527 28.2967
153 3GFB NAD 0.00007632 0.47102 29.1429
154 2DFV NAD 0.0000303 0.46439 29.9712
155 1PL6 572 0.0001762 0.44832 34.5506
156 1PL6 NAD 0.00007765 0.43055 34.5506
157 1LLU NAD 0.00000001562 0.60404 36.2573
158 5DOZ NDP 0.0000000184 0.57831 36.6864
159 4GKV NAD 0.00000004684 0.55783 36.9048
160 1YB5 NAP 0.001243 0.45002 39.6011
161 5DP2 NAP 0.00000003713 0.56707 41.8129
162 3JYN NDP 0.00007108 0.50035 41.8462
163 2J8Z NAP 0.0003313 0.46661 42.3729
164 4W6Z 8ID 0.00005508 0.50937 42.6513
165 4RVU NDP 0.00000003191 0.59233 43.0723
166 4JBI NDP 0.000000004036 0.5873 44.0541
167 1R37 NAD 0.00004136 0.51166 44.9568
168 3QWB NDP 0.00000004095 0.58196 46.4072
169 4IDC NDP 0.00000002736 0.59279 47.5904
170 4IDC 1XX 0.00000002736 0.59279 47.5904
Pocket No.: 4; Query (leader) PDB : 4A0S; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4a0s.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4A0S; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4a0s.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4A0S; Ligand: CO8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4a0s.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4A0S; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4a0s.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4A0S; Ligand: CO8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4a0s.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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