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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 269 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 237 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 187 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: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 CAO 0.898305 0.934066
4 COS 0.898305 0.944444
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 CO6 0.885246 0.988636
9 1VU 0.885246 0.977528
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 MLC 0.870968 0.966292
13 BCO 0.870968 0.966292
14 1HE 0.870968 0.966667
15 3HC 0.870968 0.977273
16 IVC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 MCA 0.864 0.977528
19 COO 0.864 0.966292
20 COK 0.861789 0.944444
21 COA 0.857143 0.965909
22 SCA 0.857143 0.966292
23 0T1 0.857143 0.94382
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 BYC 0.850394 0.966292
29 COW 0.850394 0.955556
30 IRC 0.850394 0.977273
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 2NE 0.824427 0.945055
44 1CZ 0.824427 0.955556
45 CO8 0.824427 0.988764
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 COF 0.821705 0.923913
49 3CP 0.821705 0.944444
50 2KQ 0.821705 0.988764
51 MYA 0.818182 0.988764
52 ST9 0.818182 0.988764
53 UCC 0.818182 0.988764
54 DCC 0.818182 0.988764
55 MFK 0.818182 0.988764
56 5F9 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 7L1 0.814516 1
60 WCA 0.80597 0.945055
61 CS8 0.80597 0.977778
62 SCD 0.804688 0.94382
63 MCD 0.80315 0.966292
64 CA6 0.80315 0.896907
65 HDC 0.8 0.988764
66 4KX 0.8 0.934783
67 CIC 0.796992 0.944444
68 NMX 0.796875 0.875
69 MRR 0.794118 0.988764
70 MRS 0.794118 0.988764
71 4CO 0.791045 0.934066
72 0FQ 0.791045 0.944444
73 CAJ 0.790698 0.944444
74 YNC 0.788321 0.955556
75 DAK 0.788321 0.934783
76 0ET 0.785185 0.966667
77 01A 0.785185 0.904255
78 8Z2 0.782609 0.977778
79 HFQ 0.781022 0.923913
80 1CV 0.779412 0.966292
81 YE1 0.778626 0.933333
82 NHM 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 NHW 0.773723 0.966667
85 CA8 0.766917 0.877551
86 F8G 0.762238 0.946237
87 1HA 0.760563 0.945055
88 NHQ 0.746479 0.955056
89 S0N 0.744526 0.923077
90 CCQ 0.744526 0.945652
91 01K 0.743056 0.966292
92 COT 0.737931 0.944444
93 CA3 0.727891 0.944444
94 UCA 0.721854 0.988764
95 CO7 0.713235 0.966292
96 CA5 0.703947 0.904255
97 93P 0.699346 0.934066
98 COD 0.692913 0.954545
99 93M 0.666667 0.934066
100 4BN 0.656627 0.946237
101 5TW 0.656627 0.946237
102 OXT 0.634731 0.946237
103 HMG 0.62585 0.933333
104 PLM COA 0.61745 0.955556
105 COA PLM 0.61745 0.955556
106 JBT 0.609195 0.926316
107 BSJ 0.594118 0.913979
108 PAP 0.577586 0.784091
109 ASP ASP ASP ILE CMC NH2 0.557576 0.902174
110 PPS 0.53719 0.729167
111 191 0.532895 0.877551
112 RFC 0.53125 0.966667
113 SFC 0.53125 0.966667
114 A3P 0.525862 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
116 0WD 0.503497 0.763441
117 PTJ 0.462687 0.842697
118 3AM 0.461538 0.761364
119 3OD 0.451852 0.797753
120 A22 0.450382 0.786517
121 PUA 0.447368 0.793478
122 A2D 0.446281 0.775281
123 PAJ 0.443609 0.853933
124 SAP 0.440945 0.8
125 ATR 0.440945 0.772727
126 AGS 0.440945 0.8
127 OAD 0.437037 0.797753
128 ADP 0.435484 0.795455
129 A2R 0.431818 0.786517
130 BA3 0.427419 0.775281
131 NA7 0.426471 0.829545
132 9X8 0.426471 0.8
133 HEJ 0.425197 0.795455
134 ATP 0.425197 0.795455
135 B4P 0.424 0.775281
136 AP5 0.424 0.775281
137 ADQ 0.422222 0.777778
138 AQP 0.421875 0.795455
139 AR6 0.421875 0.775281
140 5FA 0.421875 0.795455
141 2A5 0.421875 0.818182
142 APR 0.421875 0.775281
143 48N 0.42069 0.802198
144 AN2 0.420635 0.786517
145 FYA 0.42029 0.786517
146 M33 0.417323 0.786517
147 SRP 0.413534 0.808989
148 ANP 0.412214 0.777778
149 YLB 0.412162 0.877778
150 FA5 0.411348 0.788889
151 YLP 0.410959 0.877778
152 ME8 0.410072 0.835165
153 AT4 0.409449 0.808989
154 APU 0.409396 0.76087
155 5AL 0.409091 0.786517
156 7D3 0.408 0.766667
157 F2R 0.407895 0.836957
158 NJP 0.407895 0.78022
159 AD9 0.407692 0.777778
160 25L 0.407143 0.786517
161 7D4 0.40625 0.766667
162 CA0 0.40625 0.777778
163 ATF 0.406015 0.769231
164 A A A 0.405797 0.786517
165 A2P 0.404762 0.761364
166 9ZA 0.404412 0.791209
167 8QN 0.404412 0.786517
168 9ZD 0.404412 0.791209
169 LAQ 0.40411 0.815217
170 NDP 0.403974 0.763441
171 ACP 0.403101 0.797753
172 ACQ 0.401515 0.797753
173 YAP 0.401408 0.78022
174 ATP A A A 0.401408 0.744444
175 TXA 0.4 0.788889
176 NB8 0.4 0.782609
177 PAX 0.4 0.768421
178 1ZZ 0.4 0.855556
Ligand no: 2; Ligand: CMP; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 2BA 1 0.984848
2 CMP 1 1
3 RP1 0.757143 0.928571
4 SP1 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 N6R 0.535354 0.914286
14 N6S 0.535354 0.914286
15 PCG 0.534091 0.888889
16 35G 0.534091 0.888889
17 C2E 0.534091 0.902778
18 1YC 0.53 0.875
19 Y3J 0.506667 0.753623
20 XYA 0.5 0.826087
21 5CD 0.5 0.811594
22 ACK 0.5 0.897059
23 RAB 0.5 0.826087
24 ADN 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 LMS 0.447059 0.7875
37 AMP 0.447059 0.927536
38 QQY 0.447059 0.847222
39 A 0.447059 0.927536
40 3DH 0.440476 0.777778
41 3AM 0.435294 0.913043
42 A2D 0.431818 0.928571
43 J7C 0.431818 0.75
44 ABM 0.431818 0.901408
45 ZAS 0.430233 0.77027
46 7D7 0.428571 0.771429
47 S4M 0.426966 0.666667
48 SRA 0.425287 0.876712
49 6RE 0.425287 0.74026
50 3AD 0.425 0.838235
51 2AM 0.423529 0.9
52 BA3 0.422222 0.928571
53 A12 0.422222 0.864865
54 AP2 0.422222 0.864865
55 MAO 0.422222 0.740741
56 DSH 0.420455 0.727273
57 NEC 0.420455 0.726027
58 AOC 0.420455 0.802817
59 A3G 0.420455 0.780822
60 SFG 0.419355 0.753425
61 6JR 0.419048 0.927536
62 ADP 0.417582 0.901408
63 AP5 0.417582 0.928571
64 5AS 0.417582 0.741176
65 B4P 0.417582 0.928571
66 A3N 0.41573 0.767123
67 APC 0.414894 0.864865
68 AN2 0.413043 0.888889
69 SON 0.413043 0.864865
70 AT4 0.413043 0.864865
71 EEM 0.412371 0.691358
72 GJV 0.411111 0.730769
73 GGZ 0.41 0.78481
74 OVE 0.409091 0.863014
75 M33 0.408602 0.888889
76 ADX 0.408602 0.810127
77 AU1 0.408602 0.876712
78 CA0 0.408602 0.876712
79 A3P 0.406593 0.927536
80 5X8 0.404255 0.767123
81 ATP 0.404255 0.901408
82 ACP 0.404255 0.876712
83 HEJ 0.404255 0.901408
84 50T 0.404255 0.888889
85 ADP VO4 0.40404 0.888889
86 VO4 ADP 0.40404 0.888889
87 SAM 0.402062 0.691358
88 0UM 0.401961 0.7
89 AR6 0.4 0.901408
90 AQP 0.4 0.901408
91 5FA 0.4 0.901408
92 APR 0.4 0.901408
93 PRX 0.4 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AVB; Ligand: ACO; Similar sites found with APoc: 314
This union binding pocket(no: 1) in the query (biounit: 4avb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4RI1 ACO None
2 2WOR 2AN None
3 4XCP PLM None
4 2QQC AG2 None
5 4MN3 ACE PHE ALA TYR M3L SER NH2 None
6 4Z2S NDG None
7 4Z2S NAG None
8 3KPE TM3 None
9 5OLK DTP 0.600601
10 4UA3 COA 1.03093
11 5KTC COA 1.06383
12 5KTC FUH 1.06383
13 3O01 DXC 1.2987
14 4YDS ATP 1.31579
15 3IUY AMP 1.31579
16 4G86 BNT 1.40845
17 4C2C ALA ALA ALA 1.5015
18 4LHM AZZ 1.5015
19 5NM7 GLY 1.50376
20 3B9Q MLI 1.65563
21 3EWA ANP 1.86335
22 5L3W GDP 1.96078
23 2VWA PTY 1.9802
24 5URY PAM 2.05479
25 5HGZ ACO 2.05761
26 1R0X ATP 2.0979
27 3COB ADP 2.1021
28 5TSH ADP 2.1021
29 2WHX ADP 2.1021
30 5TSH ANP 2.1021
31 3EC1 GDP 2.1021
32 3CV2 OXL 2.1021
33 2Q8M AMP 2.10843
34 2IYL GDP 2.11268
35 2WW4 ADP 2.12014
36 3E70 GDP 2.13415
37 3TO7 COA 2.17391
38 5M37 9SZ 2.17391
39 5WHT SIA GAL GLC 2.17391
40 5M36 9SZ 2.18341
41 5G3Y ADP 2.21239
42 2GDJ ANP 2.27273
43 2Y7P SAL 2.29358
44 4A91 GLU 2.34899
45 2ZPA ACO 2.4024
46 5ZXD ATP 2.4024
47 1RJW ETF 2.4024
48 3QDK QDK 2.4024
49 1ZPD CIT 2.4024
50 4AG9 COA 2.42424
51 2W58 ADP 2.47525
52 5HH0 COA 2.5
53 4YMU ATP 2.5
54 5TCI MLI 2.53623
55 4KVX ACO 2.5641
56 3R6K FUC GAL GLA 2.62295
57 5EOO CIT 2.64151
58 1B0U ATP 2.67176
59 5ZI9 FLC 2.69231
60 2YNE YNE 2.7027
61 2YNE NHW 2.7027
62 3DC4 ADP 2.7027
63 3P4X ADP 2.7027
64 2YNC YNC 2.7027
65 2XAU ADP 2.7027
66 1VG1 GDP 2.7027
67 4V3I ASP LEU THR ARG PRO 2.72374
68 6A46 DCM 2.73438
69 1MR3 G3D 2.76243
70 3EYK EYK 2.78638
71 3GUZ PAF 2.84091
72 4U00 ADP 2.86885
73 2HT6 GDP 2.87356
74 3NHB ADP 2.94118
75 5U32 GDP 2.9661
76 4B5P ACO 3
77 2AWN ADP 3.003
78 5YV5 ADP 3.003
79 1YQT ADP 3.003
80 5MU6 MYA 3.003
81 5MU6 KFK 3.003
82 3SXN COA 3.003
83 1T5C ADP 3.003
84 4KFU ACP 3.003
85 2Z3U CRR 3.003
86 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 3.003
87 1A05 IPM 3.003
88 5IN3 G1P 3.003
89 2F7A BEZ 3.01724
90 1RE0 GDP 3.04878
91 1S9D GDP 3.04878
92 1YRB GDP 3.05344
93 6CB2 OLC 3.07167
94 1NU4 MLA 3.09278
95 3ZUY TCH 3.09598
96 4V03 ADP 3.11284
97 2CJW GDP 3.125
98 5CK5 GDP 3.16456
99 3TE4 ACO 3.25581
100 4RHS SIA SIA GAL 3.27869
101 2OG2 MLI 3.3033
102 2NCD ADP 3.3033
103 1F9V ADP 3.3033
104 6BMS POV 3.3033
105 3AYI FAD 3.3033
106 2GKS ADP 3.3033
107 5OSW DIU 3.3033
108 1VG9 GDP 3.3033
109 1SKQ GDP 3.3033
110 1JI0 ATP 3.33333
111 3K7S R52 3.35196
112 5YW5 ADE 3.35196
113 4DDY DN6 3.42205
114 1G8S MET 3.47826
115 2CDN ADP 3.48259
116 3Q85 GNP 3.5503
117 4UWJ 7L5 3.6036
118 4UWJ MYA 3.6036
119 3KC1 2T6 3.6036
120 3Q72 GNP 3.61446
121 4Y85 499 3.61446
122 1RRC ADP 3.65448
123 2B99 RDL 3.84615
124 3B6C SDN 3.84615
125 4QYS PLR 3.9039
126 1HK8 DGT 3.9039
127 2ISJ FMN 3.91304
128 3LTW HLZ 3.92857
129 3UIE ANP 4
130 1Z0A GDP 4.02299
131 4QM7 GTP 4.09357
132 2VZZ SCA 4.12844
133 3W6G FLC 4.16667
134 5TVJ COA 4.2042
135 5TVJ 7LF 4.2042
136 2DPY ADP 4.2042
137 1XP8 AGS 4.2042
138 1TV5 N8E 4.2042
139 3BIY 01K 4.2042
140 1TV5 A26 4.2042
141 2OFD NGA 4.22535
142 1JJ7 ADP 4.23077
143 3W9F I3P 4.23077
144 2P3V SRT 4.29688
145 3LN9 FLC 4.31655
146 4YJK URA 4.36508
147 1JJV ATP 4.36893
148 2YJP CYS 4.46735
149 5LX9 OLB 4.5045
150 2HHP FLC 4.5045
151 4F97 GDP 4.5045
152 5M04 GDP 4.5045
153 1YRE COA 4.56853
154 1GNY XYP XYP XYP XYP XYP 4.57516
155 2UYN 2KT 4.65116
156 1BOB ACO 4.6875
157 4MGA 27L 4.70588
158 4MG9 27K 4.70588
159 2WPW ACO 4.71976
160 2WPX ACO 4.71976
161 3F6R FMN 4.72973
162 2BHW NEX 4.74138
163 4R2I ANP 4.7619
164 4TV1 36M 4.78088
165 3BFV ADP 4.79705
166 1IID NHM 4.8048
167 3TK1 GDP 4.84848
168 1Q2D COA 4.93827
169 1QSN COA 4.93827
170 1QSR ACO 4.93827
171 1M4I PAP 4.97238
172 1M4I KAN 4.97238
173 1M4I COA 4.97238
174 1LVG ADP 5.05051
175 3AB4 THR 5.05618
176 2XT3 ADP 5.1051
177 6A20 ADP 5.1051
178 5XDR ADP 5.1051
179 1XVB 3BR 5.1051
180 4L9Z OXL 5.1051
181 5ZBR ANP 5.1051
182 5GVR LMR 5.12821
183 2OFW ADX 5.28846
184 4NTO 1PW 5.31401
185 3B5J 12D 5.34979
186 2QN6 GDP 5.37634
187 5GK9 ACO 5.43478
188 5O22 C3R 5.53633
189 3IIJ ADP 5.55556
190 2V2G BEZ 5.5794
191 3QDX CBS 5.59441
192 5A04 BGC 5.70571
193 4MAF ADX 5.70571
194 5OF1 SAL 5.71429
195 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.78231
196 4NSQ COA 5.78947
197 1KUV CA5 5.7971
198 3ZJX BOG 5.88235
199 5E5U MLI 6.06061
200 2PEZ DAT 6.14525
201 1GHE ACO 6.21469
202 2CNT COA 6.25
203 4PPF FLC 6.30631
204 2WSA 646 6.30631
205 2WSA MYA 6.30631
206 2O1V ADP 6.30631
207 2ZR9 DTP 6.30631
208 2D2F ADP 6.4
209 1CM0 COA 6.54762
210 5H86 BCO 6.54762
211 1QSM ACO 6.57895
212 3TDC 0EU 6.60661
213 5IM3 DTP 6.60661
214 1N71 COA 6.66667
215 1FX8 BOG 6.76157
216 3GJ3 GDP 6.78733
217 3GJ5 GDP 6.78733
218 3GJ7 GDP 6.78733
219 3GJ4 GDP 6.78733
220 3GJ0 GDP 6.78733
221 1I1D COA 6.8323
222 1I1D 16G 6.8323
223 4LO6 SIA GAL 6.90691
224 3RC3 ANP 6.90691
225 1IYK MYA 6.90691
226 1XMV ADP 6.90691
227 4R3L COA 6.93642
228 3CH5 GDP 6.94444
229 4LC1 GDP 7.20721
230 6EDV COA 7.2165
231 4WZ6 ATP 7.24138
232 4U9W COA 7.24638
233 1XQP 8HG 7.42188
234 4B47 GDP 7.43802
235 1PFK ADP 7.5
236 1G6O ADP 7.57576
237 2CBZ ATP 7.59494
238 1GXU 2HP 7.69231
239 2KIN ADP 8
240 3N5C GDP 8.02469
241 1ZED PNP 8.10811
242 6BA2 7KM 8.13559
243 3PQC GDP 8.20513
244 4J0Q GDP 8.31409
245 5O74 GDP 8.33333
246 1T9D PYD 8.40841
247 5LWY OLB 8.41121
248 2X77 GDP 8.46561
249 1U0J ADP 8.61423
250 4IA6 EIC 8.70871
251 3KO0 TFP 8.91089
252 1G6H ADP 8.94942
253 2PZE ATP 9.17031
254 1XPJ TLA 9.52381
255 4XZ3 ACP 9.56522
256 3ZIA ADP 9.60961
257 4H6U ACO 10
258 4X8O AP5 10.2804
259 3D2M COA 10.5105
260 3O5N BR0 10.7143
261 5I8F ML1 10.9091
262 5YGE ACO 10.9195
263 5YGE GLU 10.9195
264 4AG5 ADP 11.1111
265 2WJG GDP 11.1702
266 2Q4V ACO 11.1765
267 3N7S 3N7 11.3043
268 1V0C KNC 11.3861
269 1V0C ACO 11.3861
270 1OXV ANP 11.4114
271 2IL4 COA 11.6505
272 4QC6 30N 11.7318
273 4BQS ADP 11.9318
274 5UGW GSH 12
275 3MD0 GDP 12.012
276 2JEV NHQ 12.069
277 1MID LAP 12.0879
278 5LS7 ACO 12.1951
279 2B4D COA 12.2807
280 2B4B COA 12.2807
281 1U72 MTX 12.3656
282 1U72 NDP 12.3656
283 2D5X L35 12.766
284 1M7G AV2 12.7962
285 6BR8 6OU 13.0952
286 3R96 ACO 13.2979
287 3R96 AMP 13.2979
288 4LFL TG6 13.5802
289 4CVN ADP 13.6126
290 2NGR GDP 13.6126
291 1S7N COA 13.7363
292 1WWZ ACO 13.8365
293 3QF7 ANP 14
294 2VBQ BSJ 14.5455
295 2V7Q ADP 14.7147
296 6C4A PYR 14.7147
297 5BXQ GDP 14.9606
298 4C2X NHW 15.015
299 2Y69 CHD 15.7143
300 4PSW COA 15.7895
301 5XXS COA 15.9091
302 1XX6 ADP 17.2775
303 5K04 COA 17.6471
304 4OGQ 7PH 17.6471
305 1I4D GDP 18.2292
306 4I67 G G G RPC 18.3908
307 1Y63 ADP 19.5652
308 4CRZ ACO 19.5804
309 3HRD NIO 20.625
310 3A4M ADP 20.7692
311 1NF8 BOG 20.7729
312 3W5J GDP 25
313 5JPH COA 25.6944
314 1Q2C COA 26.3158
Pocket No.: 2; Query (leader) PDB : 4AVB; Ligand: CMP; Similar sites found with APoc: 146
This union binding pocket(no: 2) in the query (biounit: 4avb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4P7U 1PS None
2 4TWP AXI 1.47601
3 1D8C GLV 1.5015
4 4TVD BGC 1.5015
5 4NZ6 DGL 1.59744
6 1NJR XYL 1.76056
7 1PVN MZP 1.8018
8 6CMJ F6J 1.86916
9 5TA6 79D 1.95531
10 4G31 0WH 2.00669
11 4Z7X 3CX 2.10084
12 6B9T 2HE 2.1021
13 3RC1 NAP 2.1021
14 3H78 BE2 2.1021
15 2PT9 2MH 2.18069
16 5JGA 6KC 2.22222
17 3AY6 NAI 2.23048
18 4LOO SB4 2.4024
19 2I7C AAT 2.4735
20 1KSK URA 2.5641
21 3EKK GS2 2.60586
22 4GJ3 0XP 2.64901
23 1I2B UPG 2.7027
24 1I2B USQ 2.7027
25 1I2B NAD 2.7027
26 5FJN BE2 2.7027
27 5WS9 AMP 2.7027
28 5FJN FAD 2.7027
29 1BZY IMU 2.76498
30 4NVP 7CH 2.87081
31 1TI7 NAP 3.003
32 4P5Z Q7M 3.003
33 1IT7 GUN 3.003
34 3LXK MI1 3.0581
35 3IGO ANP 3.3033
36 4JBI NDP 3.3033
37 4ZCW 4NG 3.3033
38 3B1Q NOS 3.37423
39 5JFS 6K0 3.57143
40 5XVH TLA 3.59477
41 1P9B HDA 3.6036
42 1Q19 SSC 3.6036
43 4LIK CIT 3.6036
44 4UAL 3FV 3.6036
45 5X8G S0N 3.6036
46 3RDE OYP 3.6036
47 1RRC ADP 3.65448
48 2VN9 GVD 3.65448
49 4FG8 ATP 3.80952
50 2WEI VGG 3.83275
51 5JKG 6LF 3.85852
52 2GU8 796 3.9039
53 2IO8 ADP 3.9039
54 4JD3 PLM 3.9039
55 4JD3 COA 3.9039
56 3NW7 LGV 3.90879
57 4CQE CQE 3.95683
58 2HK5 1BM 4.07407
59 3KOX Z98 4.13223
60 5UR1 YY9 4.18006
61 4MO2 FAD 4.2042
62 1HYH NAD 4.20712
63 5EYK 5U5 4.34783
64 4WES HCA 4.5045
65 5T8O 76Z 4.5045
66 2R2N KYN 4.5045
67 2QZS 250 4.5045
68 2QZS ADP 4.5045
69 2QZS GLC 4.5045
70 2R2N PMP 4.5045
71 4ONA UW1 4.8048
72 5UR6 8KM 4.97238
73 6EK3 OUL 4.97738
74 6FCH PRP 5.05618
75 3C6K MTA 5.1051
76 3C6K SPD 5.1051
77 3SXS PP2 5.22388
78 5LV1 78T 5.35714
79 5OJI ISN 5.38462
80 5OJI NAP 5.38462
81 2H8H H8H 5.40541
82 4WEI GLC GAL 5.41516
83 4XF6 ADP 5.49451
84 4XF6 LIP 5.49451
85 4XF6 INS 5.49451
86 4KM2 TOP 5.58659
87 4KM2 ATR 5.58659
88 5YSQ INS 5.59441
89 4X1B MLI 5.70571
90 5VCV 1N1 5.78778
91 1RYO OXL 5.8104
92 3G5D 1N1 5.94406
93 2X2M X2M 6.00601
94 3VRY B43 6.00601
95 3AD8 PYC 6.06061
96 3AD8 FAD 6.06061
97 2GAG FOA 6.30631
98 2GAG FAD 6.30631
99 4JGT PYR 6.68896
100 4C3Y ANB 7.20721
101 3N1S 5GP 7.56302
102 6C0B MLI 7.69231
103 3JUC PCA 7.84314
104 2B6N ALA PRO THR 7.91367
105 1ONI BEZ 7.97101
106 1ULE GLA GAL NAG 8
107 6BA2 7KM 8.13559
108 1RJ9 GCP 8.33333
109 3LA3 2FT 8.64198
110 1Q9I FAD 8.70871
111 1Q9I TEO 8.70871
112 4NW6 2NS 8.97833
113 2VUT NAD 9.30233
114 5FBN 5WF 9.5941
115 2PTM CMP 9.59596
116 3KCC CMP 10
117 2V92 ATP 10.3448
118 2V92 AMP 10.3448
119 3PP0 03Q 11.1111
120 2XHK AKG 11.2613
121 1V0C KNC 11.3861
122 1V0C ACO 11.3861
123 5W4W 9WG 11.4804
124 3TTC ADP 12.3123
125 4N9I PCG 12.381
126 1CX4 CMP 12.459
127 5KBF CMP 15.2824
128 2XKO AKG 15.7303
129 3SHR CMP 16.7224
130 3A76 SPD 17.0455
131 3CF6 SP1 17.9641
132 1NE6 SP1 22.9682
133 3I54 CMP 24.498
134 3I59 N6R 24.498
135 3I59 N6S 24.498
136 4CYD CMP 25.7778
137 5C8W PCG 25.8741
138 5BV6 35G 26.9737
139 3PNA CMP 27.2727
140 3OCP CMP 30.9353
141 5K8S CMP 31.0811
142 4OFG PCG 32.6389
143 4KU7 PCG 34.6405
144 4MUV PCG 38.7324
145 5JAX 6J7 39.2593
146 5H5O PCG 44.9612
Pocket No.: 3; Query (leader) PDB : 4AVB; Ligand: CMP; Similar sites found with APoc: 133
This union binding pocket(no: 3) in the query (biounit: 4avb.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1VLT ASP None
2 4FL3 ANP 1.2012
3 5MY8 RXZ 1.2012
4 4YZC STU 1.2012
5 5VC5 96M 1.38408
6 3SRV S19 1.44404
7 4K4D HFQ 1.45985
8 4RF2 NAP 1.47059
9 6BFN DL1 1.8018
10 2QX0 PH2 1.88679
11 2QLU ADE 1.91083
12 3BU5 ATP 1.96078
13 4YMJ 4EJ 1.97368
14 3BMN AX3 2.08333
15 3FC2 IBI 2.08955
16 4YZN 4K5 2.09059
17 3X0V FAD 2.1021
18 1RYI FAD 2.1021
19 1RYI GOA 2.1021
20 6GQM F8H 2.13415
21 5YIC 8VO 2.13415
22 1EX7 5GP 2.15054
23 2OFV 242 2.16606
24 3AY6 BGC 2.23048
25 6BXL SAM 2.38095
26 1MO9 FAD 2.4024
27 1P7T PYR 2.4024
28 1CZA G6P 2.4024
29 1TLL FMN 2.4024
30 5TG5 JW8 2.44898
31 5NKB 8ZT 2.61438
32 3SLS ANP 2.63158
33 2XVD AS6 2.64901
34 4OH4 ANP 2.7027
35 5LPZ ADP 2.71084
36 6F3G CJN 2.71186
37 2Y6O 1N1 2.74914
38 5K4W THR 2.80374
39 4EWH T77 2.90909
40 3NOJ PYR 2.94118
41 5H2U 1N1 2.99625
42 4XBA GMP 3
43 3UYK 0CX 3.003
44 3GDN FAD 3.003
45 4M3P HCS 3.003
46 5LPB ADP 3.04054
47 5DRB 5FJ 3.09278
48 6GIN IR2 3.32226
49 6BQ6 TER 3.32326
50 3FPF MTA 3.3557
51 3FPF TNA 3.3557
52 5AHW CMP 3.40136
53 1KZN CBN 3.41463
54 4L80 OXL 3.6036
55 2C6Q NDP 3.6036
56 4IV9 FAD 3.6036
57 4BHL ARG 3.6036
58 3TXO 07U 3.6036
59 4DX5 MIY 3.6036
60 4IDT T28 3.6036
61 3M3E GAL A2G NPO 3.72671
62 4XV1 904 3.76712
63 2XTN GTP 3.84615
64 4QYS PLP SEP 3.9039
65 2CXG GLC GLC 3.9039
66 2ZB4 NAP 3.9039
67 5HES 032 3.90879
68 3ZV6 NAD 3.91459
69 3ZV6 4HB 3.91459
70 4CLI 5P8 3.97554
71 5FIT AP2 4.08163
72 6C1S EFV 4.2042
73 1WD4 AHR 4.2042
74 4C2V YJA 4.21053
75 3WSJ MK1 4.31034
76 3BZ3 YAM 4.34783
77 1GSA ADP 4.43038
78 4KS7 X4Z 4.45205
79 4PNI KQQ 4.5045
80 2O07 MTA 4.60526
81 2O07 SPD 4.60526
82 3A4V NAD 4.73186
83 3A4V PYR 4.73186
84 1XJD STU 4.8048
85 2J5V PCA 4.8048
86 3AB4 THR 5.05618
87 1Y57 MPZ 5.1051
88 2EQA AMP 5.1051
89 4E93 GUI 5.1051
90 5U6C 7YS 5.1051
91 4MPO AMP 5.22876
92 5CMK GLU 5.40541
93 5YK1 ANP 5.70571
94 4Y8D 49J 5.70571
95 6E2O S0L 5.76271
96 1XSE NDP 5.76271
97 1JGS SAL 5.7971
98 4I6H 1C8 5.84416
99 3WG6 NDP 5.86319
100 1V0O INR 5.90278
101 1PN0 IPH 6.00601
102 5HCY 60D 6.34441
103 3FJG 3PG 6.77291
104 5AK0 8V1 6.90691
105 6GZD LCI 6.90691
106 2DPM SAM 7.04225
107 2J4D MHF 7.20721
108 4INI AMP 7.69231
109 5WA9 9ZD 7.75194
110 4UXL 5P8 7.76398
111 3OJF IMJ 7.7821
112 4X28 FDA 7.80781
113 5Y1G AKB 7.92683
114 5Y1G NAD 7.92683
115 5DQ8 FLF 8.33333
116 1T9D P22 8.40841
117 4CZ1 VNJ 8.61244
118 5X80 SAL 8.75
119 5MJA 7O3 8.85246
120 5XH2 NPO 9.16031
121 6C7Y ADP 10.2564
122 5KK4 44E 10.4167
123 5WNL STU 10.8108
124 4KBA 1QM 11.4804
125 2Y9G LBT 12
126 2Y9G LAT 12
127 4EN4 GT0 13.7821
128 4EN4 GT1 13.7821
129 4EN4 ATP 13.7821
130 4CQM NAP 13.9344
131 5CLO NS8 15.2542
132 6C6O ENG 15.3153
133 4DC2 ADE 17.8571
Pocket No.: 4; Query (leader) PDB : 4AVB; Ligand: ACO; Similar sites found with APoc: 47
This union binding pocket(no: 4) in the query (biounit: 4avb.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5N1X 8HH None
2 1N13 AG2 None
3 1G16 GDP None
4 3NB0 G6P 1.2012
5 2VDY HCY 1.2012
6 5FCF GLY GLY GLY 2.1021
7 3PMA SCR 2.3166
8 2CHT TSA 2.3622
9 4K7O EKZ 2.38095
10 2RCN GDP 2.4024
11 2WM1 13P 2.4024
12 5V4R MGT 2.46914
13 1IZC PYR 2.7027
14 3ETG GTP 3.3033
15 5LXT GDP 4.1958
16 5YT0 GDP 4.2042
17 2OFE NAG 4.22535
18 1C1X HFA 4.5045
19 5WGQ EST 4.5977
20 5DX3 EST 4.5977
21 5DXG EST 4.5977
22 4MGD 27N 4.70588
23 4MGB XDH 4.70588
24 5KUT GDP 4.7619
25 2J9L ATP 4.86486
26 4WGF HX2 4.87805
27 2Y65 ADP 5.1051
28 5W7B MYR 5.1051
29 5XQL C2E 5.15464
30 2P39 SCR 5.16129
31 4J24 EST 5.41667
32 4NU0 AP5 5.52995
33 3QDW NDG 5.59441
34 3QDU CBS CBS 5.59441
35 4RW3 TDA 5.96026
36 3KTA AP5 6.59341
37 2ZFI ADP 6.90691
38 1DTL BEP 7.45342
39 3VSV XYS 7.80781
40 4E03 ADP 8.25243
41 1T3D CYS 8.3045
42 3S6X SIA GAL BGC 8.92308
43 5KDS A2G THR ALA PRO GLY GLY NAG SIA 9.60961
44 1O8B ABF 11.8721
45 3I6B KDO 15.5556
46 5Z84 CHD 16.9492
47 5ZCO CHD 16.9492
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