Receptor
PDB id Resolution Class Description Source Keywords
4AVB 1.8 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF PROTEIN LYSINE ACETYLTRANSFERASE RV0998 COMPLEX WITH ACETYL COA AND CAMP MYCOBACTERIUM TUBERCULOSIS TRANSFERASE ALLOSTERIC REGULATION DOMAIN COUPLING
Ref.: CYCLIC AMP REGULATION OF PROTEIN LYSINE ACETYLATION MYCOBACTERIUM TUBERCULOSIS. NAT.STRUCT.MOL.BIOL. V. 19 811 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1338;
B:1342;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
ACT B:1341;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CMP A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
329.206 C10 H12 N5 O6 P c1nc(...
EDO A:1333;
A:1334;
A:1335;
A:1336;
B:1333;
B:1334;
B:1335;
B:1336;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PEG A:1337;
B:1337;
B:1338;
B:1339;
B:1340;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AVB 1.8 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF PROTEIN LYSINE ACETYLTRANSFERASE RV0998 COMPLEX WITH ACETYL COA AND CAMP MYCOBACTERIUM TUBERCULOSIS TRANSFERASE ALLOSTERIC REGULATION DOMAIN COUPLING
Ref.: CYCLIC AMP REGULATION OF PROTEIN LYSINE ACETYLATION MYCOBACTERIUM TUBERCULOSIS. NAT.STRUCT.MOL.BIOL. V. 19 811 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 4AVB - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4AVA - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 4AVB - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4AVA - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 4AVB - CMP C10 H12 N5 O6 P c1nc(c2c(n....
2 4AVA - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
Ligand no: 2; Ligand: CMP; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 CMP 1 1
2 2BA 1 0.984848
3 SP1 0.757143 0.928571
4 RP1 0.757143 0.928571
5 1YD 0.727273 0.902778
6 4BW 0.727273 0.902778
7 1SY 0.653061 0.902778
8 1OR 0.635294 0.807692
9 4UR 0.626263 0.902778
10 7CH 0.580247 0.984615
11 6SX 0.573171 0.953846
12 6SZ 0.559524 0.984848
13 N6S 0.535354 0.914286
14 N6R 0.535354 0.914286
15 C2E 0.534091 0.902778
16 35G 0.534091 0.888889
17 PCG 0.534091 0.888889
18 1YC 0.53 0.875
19 Y3J 0.506667 0.753623
20 5CD 0.5 0.811594
21 XYA 0.5 0.826087
22 ACK 0.5 0.897059
23 ADN 0.5 0.826087
24 RAB 0.5 0.826087
25 6SW 0.494382 0.9
26 5AD 0.493151 0.776119
27 5N5 0.486842 0.8
28 75G 0.483146 0.890411
29 A4D 0.480519 0.8
30 M2T 0.475 0.736842
31 MTA 0.469136 0.777778
32 CC5 0.466667 0.850746
33 EP4 0.4625 0.756757
34 DTA 0.45679 0.816901
35 QQX 0.452381 0.835616
36 AMP 0.447059 0.927536
37 A 0.447059 0.927536
38 QQY 0.447059 0.847222
39 3DH 0.440476 0.777778
40 AMP MG 0.436782 0.875
41 3AM 0.435294 0.913043
42 ABM 0.431818 0.901408
43 J7C 0.431818 0.75
44 A2D 0.431818 0.928571
45 ZAS 0.430233 0.77027
46 7D7 0.428571 0.771429
47 S4M 0.426966 0.666667
48 6RE 0.425287 0.74026
49 SRA 0.425287 0.876712
50 3AD 0.425 0.838235
51 2AM 0.423529 0.9
52 AP2 0.422222 0.864865
53 A12 0.422222 0.864865
54 BA3 0.422222 0.928571
55 MAO 0.422222 0.740741
56 NEC 0.420455 0.726027
57 A3G 0.420455 0.780822
58 DSH 0.420455 0.727273
59 AOC 0.420455 0.802817
60 BEF ADP 0.419355 0.84
61 SFG 0.419355 0.753425
62 ADP BEF 0.419355 0.84
63 6JR 0.419048 0.927536
64 B4P 0.417582 0.928571
65 5AS 0.417582 0.741176
66 AP5 0.417582 0.928571
67 ADP 0.417582 0.901408
68 A3N 0.41573 0.767123
69 APC 0.414894 0.864865
70 SON 0.413043 0.864865
71 AN2 0.413043 0.888889
72 EEM 0.412371 0.691358
73 GJV 0.411111 0.730769
74 GGZ 0.41 0.78481
75 OVE 0.409091 0.863014
76 ADP MG 0.408602 0.863014
77 AU1 0.408602 0.876712
78 M33 0.408602 0.888889
79 CA0 0.408602 0.876712
80 ADX 0.408602 0.810127
81 A3P 0.406593 0.927536
82 5X8 0.404255 0.767123
83 50T 0.404255 0.888889
84 ATP 0.404255 0.901408
85 ACP 0.404255 0.876712
86 VO4 ADP 0.40404 0.888889
87 ADP VO4 0.40404 0.888889
88 SAM 0.402062 0.691358
89 0UM 0.401961 0.7
90 AQP 0.4 0.901408
91 APR 0.4 0.901408
92 PRX 0.4 0.876712
93 AR6 0.4 0.901408
94 5FA 0.4 0.901408
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AVB; Ligand: ACO; Similar sites found: 108
This union binding pocket(no: 1) in the query (biounit: 4avb.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RI1 ACO 0.00001159 0.48564 None
2 4UA3 COA 0.00001408 0.4771 1.03093
3 5KTC COA 0.0003445 0.46282 1.06383
4 5KTC FUH 0.0003445 0.46282 1.06383
5 4LHM AZZ 0.02996 0.40708 1.5015
6 3B9Q MLI 0.001171 0.4716 1.65563
7 2VWA PTY 0.02552 0.40815 1.9802
8 5HGZ ACO 0.0000004559 0.56119 2.05761
9 3CV2 OXL 0.0435 0.40084 2.1021
10 2IYL GDP 0.008819 0.42295 2.11268
11 3TO7 COA 0.0000233 0.49283 2.17391
12 4A91 GLU 0.02408 0.4061 2.34899
13 2ZPA ACO 0.000002529 0.51938 2.4024
14 4AG9 COA 0.00002778 0.42463 2.42424
15 4KVX ACO 0.000002844 0.53162 2.5641
16 3R6K FUC GAL GLA 0.02993 0.40841 2.62295
17 5EOO CIT 0.02751 0.40271 2.64151
18 2YNE YNE 0.0003753 0.49601 2.7027
19 2YNE NHW 0.0003753 0.49601 2.7027
20 2YNC YNC 0.00007034 0.49042 2.7027
21 3NHB ADP 0.001766 0.47274 2.94118
22 4B5P ACO 0.000005911 0.52095 3
23 3SXN COA 0.00001266 0.48481 3.003
24 4C2Z MYA 0.00008931 0.4014 3.003
25 3TE4 ACO 0.00002129 0.48454 3.25581
26 2NCD ADP 0.003778 0.45516 3.3033
27 1JI0 ATP 0.001828 0.46774 3.33333
28 3K7S R52 0.01061 0.41896 3.35196
29 1G8S MET 0.02418 0.40965 3.47826
30 4UWJ 7L5 0.0006506 0.47423 3.6036
31 4UWJ MYA 0.0006506 0.47423 3.6036
32 3B6C SDN 0.03166 0.40301 3.84615
33 2VZZ SCA 0.000000008124 0.6418 4.12844
34 2DPY ADP 0.01163 0.42585 4.2042
35 1TV5 N8E 0.02523 0.41422 4.2042
36 1TV5 A26 0.02466 0.40072 4.2042
37 2OFD NGA 0.02074 0.41315 4.22535
38 1JJ7 ADP 0.0005342 0.50684 4.23077
39 3W9F I3P 0.02015 0.43204 4.23077
40 2YJP CYS 0.03656 0.40158 4.46735
41 1YRE COA 0.00004153 0.45255 4.56853
42 2UYN 2KT 0.02502 0.40774 4.65116
43 1BOB ACO 0.000001684 0.544 4.6875
44 2WPW ACO 0.0000006571 0.60144 4.71976
45 2WPX ACO 0.0000004624 0.51604 4.71976
46 1IID NHM 0.0009772 0.44729 4.8048
47 2QE4 JJ3 0.01715 0.40271 4.83871
48 1QSR ACO 0.00002786 0.48972 4.93827
49 1QSN COA 0.00006878 0.4466 4.93827
50 1Q2D COA 0.00005232 0.44459 4.93827
51 1M4I PAP 0.0005958 0.45282 4.97238
52 1M4I KAN 0.0005958 0.45282 4.97238
53 1M4I COA 0.0005958 0.45282 4.97238
54 5GK9 ACO 0.00002025 0.49932 5.43478
55 5JSQ 6MS 0.02115 0.40033 5.55556
56 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.04856 0.40226 5.78231
57 4NSQ COA 0.00002625 0.52161 5.78947
58 1KUV CA5 0.000003939 0.53593 5.7971
59 3ZJX BOG 0.02077 0.4137 5.88235
60 1GHE ACO 0.0000003265 0.56033 6.21469
61 2CNT COA 0.0000002052 0.56918 6.25
62 2WSA MYA 0.0003636 0.49603 6.30631
63 2WSA 646 0.0003636 0.49603 6.30631
64 1CM0 COA 0.000005381 0.56643 6.54762
65 5H86 BCO 0.00001515 0.50637 6.54762
66 1QSM ACO 0.000003607 0.5167 6.57895
67 3TDC 0EU 0.004324 0.49715 6.60661
68 1N71 COA 0.000009062 0.48333 6.66667
69 3GJ0 GDP 0.01993 0.40533 6.78733
70 1I1D COA 0.000002073 0.52941 6.8323
71 1I1D 16G 0.000009536 0.52011 6.8323
72 1IYK MYA 0.0002557 0.41801 6.90691
73 4R3L COA 0.001786 0.43505 6.93642
74 4LC1 GDP 0.02181 0.40339 7.20721
75 4U9W COA 0.003066 0.42617 7.24638
76 2CBZ ATP 0.0003965 0.50733 7.59494
77 1GXU 2HP 0.0001907 0.49604 7.69231
78 3N5C GDP 0.01879 0.40661 8.02469
79 3PQC GDP 0.03026 0.40404 8.20513
80 4J0Q GDP 0.02919 0.40083 8.31409
81 2VEZ G6P 0.0000006858 0.56521 9.47368
82 2VEZ ACO 0.000002677 0.53898 9.47368
83 4H6U ACO 0.000004883 0.50087 10
84 4X8O AP5 0.009547 0.4089 10.2804
85 3D2M COA 0.000006396 0.52354 10.5105
86 4AG5 ADP 0.006698 0.44134 11.1111
87 2WJG GDP 0.02467 0.40458 11.1702
88 2Q4V ACO 0.000001215 0.54649 11.1765
89 1V0C KNC 0.0000002955 0.40746 11.3861
90 2IL4 COA 0.000005102 0.47345 11.6505
91 4QC6 30N 0.000001873 0.54782 11.7318
92 4BQS ADP 0.01288 0.41479 11.9318
93 2B4B COA 0.000001648 0.56239 12.2807
94 2B4D COA 0.000006946 0.48877 12.2807
95 1U72 NDP 0.01348 0.40809 12.3656
96 3R96 AMP 0.000004422 0.54235 13.2979
97 3R96 ACO 0.000004422 0.54235 13.2979
98 4CVN ADP 0.01887 0.41484 13.6126
99 1S7N COA 0.00001071 0.48543 13.7363
100 1WWZ ACO 0.0000003341 0.57368 13.8365
101 2VBQ BSJ 0.000002105 0.47169 14.5455
102 4C2X NHW 0.0001203 0.48596 15.015
103 4PSW COA 0.000001055 0.4958 15.7895
104 5K04 COA 0.00004177 0.47342 17.6471
105 4I67 G G G RPC 0.01423 0.41263 18.3908
106 1NF8 BOG 0.0212 0.42099 20.7729
107 5JPH COA 0.000106 0.44701 25.6944
108 1Q2C COA 0.0005045 0.43078 26.3158
Pocket No.: 2; Query (leader) PDB : 4AVB; Ligand: CMP; Similar sites found: 86
This union binding pocket(no: 2) in the query (biounit: 4avb.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X4Z X4Z 0.03145 0.40165 1.35135
2 1D8C GLV 0.02089 0.41143 1.5015
3 4NZ6 DGL 0.01525 0.40558 1.59744
4 1NJR XYL 0.01379 0.41357 1.76056
5 5TA6 79D 0.02196 0.4023 1.95531
6 4G31 0WH 0.0147 0.41714 2.00669
7 2PT9 2MH 0.03488 0.40042 2.18069
8 5JGA 6KC 0.001113 0.47151 2.22222
9 3E8N VRA 0.02212 0.4181 2.4024
10 3E8N ATP 0.02212 0.4181 2.4024
11 3EKK GS2 0.02127 0.41236 2.60586
12 4GJ3 0XP 0.004444 0.44044 2.64901
13 1I2B NAD 0.03422 0.4165 2.7027
14 5FJN BE2 0.03167 0.41247 2.7027
15 5FJN FAD 0.03521 0.40763 2.7027
16 3PE2 E1B 0.04919 0.40085 2.7027
17 3F8D FAD 0.04881 0.41635 2.78638
18 4NVP 7CH 0.0000000002152 0.72582 2.87081
19 1TI7 NAP 0.006074 0.42167 3.003
20 4P5Z Q7M 0.02726 0.40789 3.003
21 4JBI NDP 0.01595 0.40774 3.3033
22 3B1Q NOS 0.01275 0.4009 3.37423
23 5JFS 6K0 0.01766 0.41946 3.57143
24 4UAL 3FV 0.01212 0.40194 3.6036
25 3RDE OYP 0.01811 0.40059 3.6036
26 4FG8 ATP 0.01064 0.41005 3.80952
27 2WEI VGG 0.007163 0.40844 3.83275
28 5JKG 6LF 0.01172 0.42649 3.85852
29 2GU8 796 0.04564 0.40847 3.9039
30 4JD3 PLM 0.04588 0.40244 3.9039
31 4JD3 COA 0.04427 0.40244 3.9039
32 3NW7 LGV 0.00657 0.44616 3.90879
33 4CQE CQE 0.03147 0.40471 3.95683
34 3KOX Z98 0.01056 0.40847 4.13223
35 5UR1 YY9 0.01136 0.43116 4.18006
36 5EYK 5U5 0.003079 0.44401 4.34783
37 1KDK DHT 0.0417 0.40771 4.51977
38 3SXF BK5 0.01321 0.42061 4.8048
39 3C6K SPD 0.0258 0.40911 5.1051
40 3C6K MTA 0.0258 0.40911 5.1051
41 2H8H H8H 0.01234 0.40156 5.40541
42 5VCV 1N1 0.009685 0.41528 5.78778
43 1RYO OXL 0.007465 0.42095 5.8104
44 3G5D 1N1 0.03531 0.41153 5.94406
45 2X2M X2M 0.008088 0.41574 6.00601
46 5BYZ 4WE 0.01999 0.40812 6.00601
47 3AD8 FAD 0.03577 0.42158 6.06061
48 3AD8 PYC 0.03577 0.42158 6.06061
49 5UOX 8GY 0.001922 0.44546 6.27306
50 2GAG FOA 0.01558 0.42853 6.30631
51 2GAG FAD 0.01558 0.42853 6.30631
52 5HCY 60D 0.03432 0.40736 6.34441
53 4JGT PYR 0.01347 0.41729 6.68896
54 3N1S 5GP 0.009524 0.40046 7.56302
55 3JUC PCA 0.0244 0.40007 7.84314
56 2B6N ALA PRO THR 0.007861 0.43513 7.91367
57 1ULE GLA GAL NAG 0.007896 0.41198 8
58 1VJY 460 0.002862 0.45122 8.25082
59 3LA3 2FT 0.001694 0.40669 8.64198
60 1Q9I TEO 0.02399 0.42605 8.70871
61 2VUT NAD 0.008579 0.41452 9.30233
62 5FBN 5WF 0.03326 0.40042 9.5941
63 3KCC CMP 0.00000003754 0.66288 10
64 2XHK AKG 0.001521 0.41508 11.2613
65 3TTC ADP 0.01316 0.40885 12.3123
66 4N9I PCG 0.000003114 0.61663 12.381
67 1CX4 CMP 0.0000001115 0.63735 12.459
68 5KBF CMP 0.000000003908 0.69732 15.2824
69 2XKO AKG 0.001571 0.45574 15.7303
70 3SHR CMP 0.0000000008344 0.73608 16.7224
71 3CF6 SP1 0.0000005619 0.56439 17.9641
72 1NE6 SP1 0.000000008849 0.68496 22.9682
73 3I54 CMP 0.00000027 0.61605 24.498
74 3I59 N6R 0.0000009586 0.59674 24.498
75 3I59 N6S 0.000001332 0.59003 24.498
76 4CYD CMP 0.0000008077 0.55641 25.7778
77 5C8W PCG 0.000000003346 0.66198 25.8741
78 5BV6 35G 0.000000009045 0.69193 26.9737
79 3PNA CMP 0.00000001014 0.69701 27.2727
80 3OCP CMP 0.000000001165 0.72927 30.9353
81 5K8S CMP 0.000000005934 0.62479 31.0811
82 4OFG PCG 0.000000007422 0.68022 32.6389
83 4KU7 PCG 0.00000004674 0.64363 34.6405
84 4MUV PCG 0.0000000005885 0.73961 38.7324
85 5JAX 6J7 0.00000003803 0.65556 39.2593
86 5H5O PCG 0.0000986 0.49434 44.9612
Pocket No.: 3; Query (leader) PDB : 4AVB; Ligand: CMP; Similar sites found: 74
This union binding pocket(no: 3) in the query (biounit: 4avb.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4YZC STU 0.02644 0.40857 1.2012
2 5VC5 96M 0.004341 0.43674 1.38408
3 3SRV S19 0.005439 0.41617 1.44404
4 4K4D HFQ 0.01348 0.40343 1.45985
5 2QLU ADE 0.006276 0.42814 1.91083
6 3BU5 ATP 0.008192 0.40992 1.96078
7 4YMJ 4EJ 0.007403 0.42114 1.97368
8 4YZN 4K5 0.01743 0.4014 2.09059
9 4CKU P2F 0.03334 0.40037 2.12766
10 3AY6 BGC 0.03222 0.4151 2.23048
11 3KRR DQX 0.008205 0.45283 2.37288
12 1P7T PYR 0.01531 0.41258 2.4024
13 4LOO SB4 0.01065 0.40458 2.4024
14 1TLL FMN 0.0188 0.40135 2.4024
15 5LPZ ADP 0.006629 0.41423 2.71084
16 2Y6O 1N1 0.003867 0.43101 2.74914
17 5H2U 1N1 0.0009745 0.45539 2.99625
18 4XBA GMP 0.007573 0.40504 3
19 3UYK 0CX 0.00916 0.43082 3.003
20 3GDN FAD 0.03865 0.40552 3.003
21 5LPB ADP 0.004192 0.41141 3.04054
22 5DRB 5FJ 0.009406 0.43814 3.09278
23 4ZCW 4NG 0.01095 0.40202 3.3033
24 4XLI 1N1 0.004213 0.42133 3.35821
25 5AHW CMP 0.01146 0.40308 3.40136
26 4L80 OXL 0.009906 0.41728 3.6036
27 4BHL ARG 0.02269 0.40561 3.6036
28 3TXO 07U 0.009372 0.40303 3.6036
29 4DX5 MIY 0.0128 0.40271 3.6036
30 4XV1 904 0.02543 0.40521 3.76712
31 2XTN GTP 0.01768 0.4011 3.84615
32 4QYS PLP SEP 0.01507 0.40749 3.9039
33 2ZB4 NAP 0.04029 0.40017 3.9039
34 5HES 032 0.000967 0.45965 3.90879
35 3ZV6 NAD 0.01568 0.42492 3.91459
36 3ZV6 4HB 0.01654 0.42461 3.91459
37 4CLI 5P8 0.03134 0.4094 3.97554
38 2HK5 1BM 0.001462 0.44915 4.07407
39 5FIT AP2 0.008665 0.40235 4.08163
40 4ANW O92 0.009549 0.42528 4.2042
41 1WD4 AHR 0.01043 0.40707 4.2042
42 4C2V YJA 0.001966 0.45649 4.21053
43 1GSA ADP 0.01327 0.40711 4.43038
44 3A4V NAD 0.03419 0.40287 4.73186
45 3A4V PYR 0.03419 0.40287 4.73186
46 2J5V PCA 0.001945 0.44245 4.8048
47 1XJD STU 0.005544 0.41985 4.8048
48 1Y57 MPZ 0.006836 0.42093 5.1051
49 2EQA AMP 0.009567 0.41707 5.1051
50 4E93 GUI 0.01598 0.41415 5.1051
51 5U6C 7YS 0.01269 0.40639 5.1051
52 3SXS PP2 0.001452 0.40118 5.22388
53 4MPO AMP 0.009533 0.41576 5.22876
54 5CMK GLU 0.01584 0.40495 5.40541
55 4Y8D 49J 0.01014 0.41232 5.70571
56 3WG6 NDP 0.02131 0.40551 5.86319
57 1V0O INR 0.002101 0.40114 5.90278
58 3N0S ACO 0.02868 0.40676 6.71642
59 1E7S NAP 0.02863 0.40263 6.85358
60 2DPM SAM 0.01626 0.40285 7.04225
61 4INI AMP 0.003745 0.42146 7.69231
62 5I2E 67D 0.01944 0.42271 7.75194
63 4X28 FDA 0.02881 0.40137 7.80781
64 5DQ8 FLF 0.01489 0.41447 8.33333
65 4BHN BH9 0.001718 0.44584 8.70871
66 5MJA 7O3 0.004195 0.42354 8.85246
67 5DA3 58V 0.003914 0.42278 9.43396
68 4KBA 1QM 0.003154 0.43218 11.4804
69 5W4W 9WG 0.01474 0.41469 11.4804
70 2Y9G LAT 0.01991 0.41356 12
71 2Y9G LBT 0.01991 0.41356 12
72 4EN4 ATP 0.04012 0.40026 13.7821
73 4EN4 GT1 0.04012 0.40026 13.7821
74 4EN4 GT0 0.04012 0.40026 13.7821
Pocket No.: 4; Query (leader) PDB : 4AVB; Ligand: ACO; Similar sites found: 10
This union binding pocket(no: 4) in the query (biounit: 4avb.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QQC AG2 0.01054 0.42982 None
2 3PMA SCR 0.02122 0.41068 2.3166
3 5V4R MGT 0.02903 0.40773 2.46914
4 3AYI FAD 0.01433 0.41019 3.3033
5 5LXT GDP 0.0426 0.40448 4.1958
6 3BIY 01K 0.004136 0.40412 4.2042
7 4RW3 TDA 0.0152 0.40034 5.96026
8 3KTA AP5 0.01097 0.40523 6.59341
9 2ZFI ADP 0.01515 0.40978 6.90691
10 1O8B ABF 0.02521 0.40265 11.8721
Feedback