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Receptor
PDB id Resolution Class Description Source Keywords
3RMK 1.95 Å EC: 1.14.13.- TOLUENE 4 MONOOXYGENASE H WITH 4-BROMOPHENOL PSEUDOMONAS MENDOCINA OXIDOREDUCTASE AROMATIC HYDROCARBON CATABOLISM IRON MULTICOMPONENT MONOOXYGENASE DIIRON
Ref.: CRYSTALLOGRAPHIC ANALYSIS OF ACTIVE SITE CONTRIBUTI REGIOSPECIFICITY IN THE DIIRON ENZYME TOLUENE 4-MONOOXYGENASE. BIOCHEMISTRY V. 51 1101 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BML A:1912;
A:2056;
A:495;
A:496;
B:1912;
D:1912;
D:496;
D:497;
D:498;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
173.007 C6 H5 Br O c1cc(...
CA A:497;
A:498;
B:1;
B:308;
B:309;
D:1;
E:1;
E:308;
E:309;
E:311;
E:312;
E:313;
E:314;
E:315;
F:1;
F:86;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
FE A:1;
A:494;
D:494;
D:495;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
PGE E:310;
F:85;
Invalid;
Invalid;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RMK 1.95 Å EC: 1.14.13.- TOLUENE 4 MONOOXYGENASE H WITH 4-BROMOPHENOL PSEUDOMONAS MENDOCINA OXIDOREDUCTASE AROMATIC HYDROCARBON CATABOLISM IRON MULTICOMPONENT MONOOXYGENASE DIIRON
Ref.: CRYSTALLOGRAPHIC ANALYSIS OF ACTIVE SITE CONTRIBUTI REGIOSPECIFICITY IN THE DIIRON ENZYME TOLUENE 4-MONOOXYGENASE. BIOCHEMISTRY V. 51 1101 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3RMK - BML C6 H5 Br O c1cc(ccc1O....
2 5TDS - MBN C7 H8 Cc1ccccc1
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3RMK - BML C6 H5 Br O c1cc(ccc1O....
2 5TDS - MBN C7 H8 Cc1ccccc1
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3RMK - BML C6 H5 Br O c1cc(ccc1O....
2 5TDS - MBN C7 H8 Cc1ccccc1
3 1T0S - BML C6 H5 Br O c1cc(ccc1O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BML; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BML 1 1
2 HQE 0.529412 0.647059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 3rmk.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1ZEI CRS None
3 4UCC ZKW 3.43348
4 3B9Z CO2 3.59477
5 4YH2 GSH 4.05405
6 2HZL PYR 4.81928
7 1XX4 BAM 4.81928
8 1VRP IOM 4.81928
9 1LNX URI 4.93827
10 4Z0G 5GP 5.22876
11 3E3U NVC 5.58376
12 5WJ6 B4A 6.0241
13 1EKX PAL 6.0241
14 5V3Y 5V8 6.0241
15 5LX9 OLB 6.53595
16 5LX9 OLA 6.53595
17 4M6T SAM 6.55738
18 5W7B MYR 7.22892
19 4O4Z N2O 7.22892
20 2WOR 2AN 7.22892
21 5OSW DIU 7.84314
22 4I90 CHT 7.92079
23 2R4V GSH 8.09717
24 1XF1 CIT 8.43373
25 1ZED PNP 8.43373
26 4RGA 3PV 8.43373
27 5JBE MAL 8.82353
28 4URX FK1 9.18919
29 3O01 DXC 9.41558
30 2IMI GSH 9.50226
31 3R7F CP 9.63855
32 4NKW PLO 9.63855
33 1PNF NDG NAG 9.63855
34 5O22 C3R 9.63855
35 6AYI C3G 10.0503
36 6BVK EAV 10.1796
37 6BVM EBV 10.1796
38 6BVI EC4 10.1796
39 6BVL EBY 10.1796
40 5OLK DTP 10.8434
41 5LX6 78P 10.8434
42 5LWY OLB 10.9244
43 3VWX GSH 11.2613
44 5UGW GSH 11.4286
45 3QX9 ATP 11.5942
46 5V4R MGT 11.7284
47 3F8C HT1 11.9048
48 1SJD NPG 12.0482
49 6FUL PG0 12.0482
50 6EK3 OUL 12.0482
51 2CB8 MYA 12.6437
52 1B4B ARG 12.6761
53 1I0B PEL 13.253
54 3W5N RAM 13.253
55 5C9J DAO 15.1515
56 1NU4 MLA 15.6627
57 6CGN DA 15.6627
58 5IM3 DTP 15.6627
59 1B74 DGN 15.6627
60 2VWA PTY 17.8218
61 2XG5 EC2 19.2771
62 2XG5 EC5 19.2771
63 4ZGM 32M 19.3548
64 3AQT RCO 19.5918
65 3KP6 SAL 19.8675
66 3PNQ 2HA 20.4819
67 4OGQ 7PH 24.1379
68 2Y69 CHD 24.7423
69 3N7S 3N7 26.087
70 5M36 9SZ 28.9474
71 5K7K 6RJ 32.5301
72 5Z84 CHD 33.9286
73 5ZCO CHD 33.9286
74 5W97 CHD 33.9286
75 3LTW HLZ 36.1446
76 1ZPD CIT 36.1446
77 1M2Z BOG 38.0952
78 1R6N 434 39.759
Pocket No.: 2; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 211
This union binding pocket(no: 2) in the query (biounit: 3rmk.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 3VRV YSD 2.21402
3 3LN0 52B 2.28758
4 5G3N X28 2.3622
5 4MUS 2D8 2.8436
6 3NW7 LGV 3.59477
7 2X1L MET 3.61446
8 2Q2Y ADP 3.61446
9 2Q2Y MKR 3.61446
10 4E70 N7I 3.61446
11 5AHS COA 3.61446
12 3WXL ADP 3.65854
13 1MJH ATP 3.7037
14 5EW0 3C7 3.84615
15 4WGF HX2 3.90244
16 3X01 AMP 3.92157
17 2H7C COA 4.24837
18 2Z9I GLY ALA THR VAL 4.24837
19 2C6Q NDP 4.2735
20 4MNS 2AX 4.40252
21 6CB2 OLC 4.43686
22 2R40 20E 4.81928
23 3R9V DXC 4.8951
24 3E70 GDP 4.90196
25 4DK7 0KS 5.26316
26 1FK5 OLA 5.37634
27 1RTW MP5 5.45455
28 1UVC STE 5.49451
29 5GWE GWM 5.55556
30 5IKH 6BW 5.88235
31 6BYM HC3 5.91133
32 5DG2 GAL GLC 5.92593
33 4WH9 3M8 6.01093
34 5Y02 HBX 6.0241
35 2AX9 BHM 6.0241
36 3V49 PK0 6.0241
37 1J78 OLA 6.0241
38 4MRP GSH 6.0241
39 3BJC WAN 6.0241
40 5Y02 MXN 6.0241
41 5NJI 8Z2 6.0241
42 5HH0 COA 6.0241
43 5HGZ ACO 6.0241
44 2NNQ T4B 6.10687
45 1N13 AG2 6.19469
46 3OO6 GAL 6.26506
47 1NF8 BOG 6.28019
48 2QE4 JJ3 6.45161
49 4F4S EFO 6.57895
50 3CEV ARG 6.68896
51 2YPO PHE 6.86275
52 3TL1 JRO 6.91824
53 4V1F BQ1 6.97674
54 1MT1 AG2 7.07965
55 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 7.11297
56 5E58 CPZ 7.22892
57 4LY9 1YY 7.22892
58 4LY9 S6P 7.22892
59 4TV1 36M 7.22892
60 2F2G HMH 7.22892
61 4OKD GLC GLC GLC 7.22892
62 2Q4X HMH 7.22892
63 3HB5 E2B 7.22892
64 2UW1 GVM 7.22892
65 4TUZ 36J 7.22892
66 4N4J HG1 7.22892
67 5J6A P46 7.25
68 3OKI OKI 7.29614
69 4G86 BNT 7.39437
70 5ICK FEZ 7.42358
71 3GZ9 D32 7.43494
72 2FV5 541 7.66284
73 5J5R IMP 7.71208
74 5J5R 6G1 7.71208
75 5Z1N PEF 7.7381
76 3HCN CHD 7.84314
77 2G36 TRP 7.84314
78 1IIM TTP 7.87671
79 3BEJ MUF 7.98319
80 5MTE BB2 8.0292
81 3W54 RNB 8.16993
82 4F06 PHB 8.43373
83 5E70 RCD 8.43373
84 3T03 3T0 8.43373
85 1FM9 570 8.43373
86 1TZD ADP 8.43373
87 5K52 OCD 8.43373
88 3G9E RO7 8.43373
89 1RDT 570 8.43373
90 5AZC PGT 8.43373
91 3H0A D30 8.43373
92 5FQK 6NT 8.43373
93 2P4Y C03 8.43373
94 1TV5 N8E 8.43373
95 2Q8G AZX 8.43373
96 5TWO 7MV 8.43373
97 2GWH PCI 8.43373
98 3NHT U46 8.43373
99 5NWI TYR PHE SER SEP ASN 8.77863
100 1M13 HYF 8.86076
101 1SR7 MOF 8.88031
102 6CS8 F9Y 8.91089
103 3RET SAL 8.91089
104 4OAR 2S0 8.91473
105 2V5E SCR 9
106 4PGK Y69 9.01639
107 3ROE THM 9.15033
108 3IPQ 965 9.18728
109 5L8N 6RQ 9.375
110 3WR7 COA 9.41177
111 5K53 STE 9.54198
112 2BHW NEX 9.63855
113 2ZCQ B65 9.63855
114 3UNG ADP 9.63855
115 6BR8 PGV 9.63855
116 6BA2 7KM 9.63855
117 4LSJ LSJ 9.68992
118 3FAL REA 9.77444
119 3FAL LO2 9.77444
120 2V57 PRL 10
121 4P6X HCY 10.5882
122 3WFD AXO 10.7981
123 2EVL GAL SPH EIC 10.8434
124 5ECP ATP 10.8434
125 5ECP MET 10.8434
126 5ECP JAA 10.8434
127 6BR9 PGV 10.8434
128 4RZB NFQ 10.8434
129 4M73 M72 10.8434
130 4XU6 TDA 10.8434
131 5APK 76E 10.8434
132 4M73 SAH 10.8434
133 6ESN BWE 10.8434
134 3UN3 G16 10.8434
135 1P1M MET 10.8434
136 5KOR GDP 10.8434
137 5NTW 98N 10.8434
138 6BR9 6OU 10.8434
139 3GXO MQA 10.8434
140 5C1M OLC 11.2
141 5C1M CLR 11.2
142 5D9J 0N8 11.2299
143 1HBK MYR 11.236
144 2QQC AG2 11.6071
145 4RYV ZEA 11.6129
146 4RC8 STE 11.7117
147 2JHP GUN 12.0482
148 1K7L 544 12.0482
149 1XMY ROL 12.0482
150 2NPA MMB 12.0482
151 3FEI CTM 12.0482
152 1OW4 2AN 12.0482
153 3KDU NKS 12.0482
154 5CJH 522 12.0482
155 4MGD 27N 12.1569
156 5AAV GW5 12.3016
157 2BJ4 OHT 12.3016
158 3UUA 0CZ 12.3506
159 5CHR 4NC 12.4088
160 5X3R 7Y3 12.6829
161 4AIA ADK 12.766
162 2D5X L35 12.766
163 3SFI 3SF 13.253
164 1Q7E MET 13.253
165 4OMJ 2TX 13.253
166 4WX0 HXD 13.253
167 3KMZ EQO 13.253
168 1DKF BMS 13.253
169 6F6E PLM 13.9241
170 4R57 ACO 14.2045
171 1YMT DR9 14.4578
172 3G5K BB2 14.7541
173 3QUZ QUV 15.1515
174 3RUG DB6 15.1515
175 5WL1 D3D 15.1515
176 5WL1 CUY 15.1515
177 3SCM LGN 15.1515
178 3G08 FEE 15.1515
179 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 15.4639
180 1JGS SAL 15.6627
181 1B4N GUA 15.6627
182 4URN NOV 15.6627
183 3WCA FPS 15.6627
184 3E85 BSU 15.8228
185 5JDA SIN 15.8774
186 4LPG 1MV 16.8675
187 2OZ5 7XY 16.8675
188 4YSX E23 16.8675
189 3JUQ AKD 16.8675
190 3JUQ AJD 16.8675
191 1YUC EPH 16.8675
192 1YOK P6L 16.8675
193 3CHT 4NB 16.8675
194 3LE7 ADE 18.0723
195 3T64 DU3 18.0723
196 2BCG GER 19.2771
197 3HUJ AGH 19.9187
198 2CYB TYR 20.4819
199 2YMZ LAT 20.4819
200 1UO4 PIH 20.5882
201 5B4B LP5 22.8916
202 4Q9M FPP 22.8916
203 1EWF PC1 22.8916
204 5M37 9SZ 23.4783
205 5AE2 FAD 24.0964
206 3PMA SCR 24.1379
207 5EK3 5PK 25.3012
208 1A05 IPM 26.506
209 1XVB BHL 27.6423
210 5Z84 TGL 33.9286
211 2XN5 FUN 40
Pocket No.: 3; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 60
This union binding pocket(no: 3) in the query (biounit: 3rmk.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2E2R 2OH 2.45902
2 3WMX THR 3.61446
3 4TO8 FLC 4.10959
4 6AZQ C5J 4.19847
5 1PU7 39A 4.58716
6 3G58 988 4.81928
7 3ITA AIC 4.82955
8 5EHS 5OY 5.59701
9 5EHS 2JJ 5.59701
10 4C01 QY9 5.67376
11 5B0I BOG 5.8309
12 2A1L PCW 5.92593
13 1O6U PLM 6.0241
14 3LDW ZOL 6.86275
15 5CSD ACD 7.22892
16 3UU7 2OH 7.22892
17 1PVN MZP 7.22892
18 5DCH 1YO 7.29167
19 4OIV XX9 7.52212
20 5OMY 9YE 7.92839
21 4DE3 DN8 7.98479
22 3F3E LEU 8.43373
23 4M51 BEZ 8.43373
24 4DXJ IPE 8.43373
25 4DXJ 0M9 8.43373
26 3RO7 TDR 9.15033
27 2W8Q SIN 9.15033
28 6BVJ EAS 10.1796
29 6D5H FV7 10.1796
30 6D5V FVY 10.1796
31 6D56 FVM 10.1796
32 6D59 FVJ 10.1796
33 2WPB ZZI 10.8434
34 3S0E EOL 10.8434
35 5ZCT ANP 10.8434
36 2HFK E4H 10.8434
37 1GVE CIT 10.8434
38 1QY1 PRZ 11.4943
39 4JE7 BB2 11.6751
40 5DNU KKN 12.0482
41 3B8I OXL 12.0482
42 1XM4 PIL 12.0482
43 1UCD U5P 12.0482
44 4QWT ACD 12.4183
45 5TVI MYR 13.0435
46 4ETZ C2E 13.1313
47 3L9R L9R 13.2653
48 2HHP FLC 14.4578
49 4Q86 AMP 14.4578
50 1BWO LPC 15.5556
51 2B56 U5P 15.6627
52 5ERM 210 15.6627
53 4EJ1 FOL 15.6716
54 3EE4 MYR 16.8675
55 1UO5 PIH 20.5882
56 4ZAC 4LU 21.6867
57 1DTL BEP 22.3602
58 5EXA 5SO 23.4783
59 5T67 JHZ 28.9157
60 5FM0 WAQ 32.5301
Pocket No.: 4; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 3rmk.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4BNU 9KQ 2.60223
2 3OJF NDP 5.05837
3 3B6C SDN 5.55556
4 4D42 W0I 5.67376
5 4D42 NAP 5.67376
6 5OC1 FAD 6.0241
7 1YKI NFZ 6.91244
8 1YKI FMN 6.91244
9 2WD7 VGD 7.22892
10 1S20 TLA 8.43373
11 2C1Q BTN 8.73016
12 2FKW RG1 9.43396
13 3D78 NBB 9.63855
14 3QCJ NX4 10.8434
15 3RFV NAI 10.8434
16 5LWY OLA 10.9244
17 5ANU 58T 11.3924
18 2Y88 2ER 12.0482
19 4XZ6 TMO 13.0719
20 3NY4 SMX 13.253
21 1CMC SAM 16.3462
22 5Z21 OXM 20.4819
23 3C6K SPD 26.506
24 3C6K MTA 26.506
25 4OHU NAD 27.7108
26 4OHU 2TK 27.7108
Pocket No.: 5; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 5
This union binding pocket(no: 5) in the query (biounit: 3rmk.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4PEG 5GP 4.81928
2 1H16 PYR 6.0241
3 3W6X HZP 6.9869
4 3DUV KDO 11.8321
5 5W3Y ACO 15.6627
Pocket No.: 6; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 3rmk.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2CUL FAD 5.60345
2 4TWP AXI 6.0241
3 4PU6 ASP 6.10687
4 3TDC 0EU 10.8434
5 3RFV 15L 10.8434
Pocket No.: 7; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 82
This union binding pocket(no: 7) in the query (biounit: 3rmk.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 ARG None
2 4UMJ BFQ 3.61446
3 1YYE 196 4.10448
4 2I0G I0G 4.28016
5 4POJ 2VP 4.329
6 1U3R 338 4.56432
7 3OLL EST 4.58333
8 3QPB URA 4.96454
9 2UVO NDG 5.26316
10 2UVO NAG 5.26316
11 3L0E G58 5.5336
12 3KFC 61X 5.5336
13 5EW9 5VC 5.90406
14 3B99 U51 6.0241
15 2VDY HCY 6.20915
16 4ONA UW1 7.18954
17 5DXE EST 7.22892
18 3UUD EST 7.22892
19 4MG8 27J 7.22892
20 4MGA 27L 7.22892
21 2DSA GSH 7.88177
22 2DSA HPX 7.88177
23 1KTG AMP 7.97101
24 4DDY DN6 7.98479
25 4IGH 1EA 8.43373
26 4IGH FMN 8.43373
27 4IGH ORO 8.43373
28 2HFP NSI 8.43373
29 5EE7 5MV 8.43373
30 6AD9 KK4 8.43373
31 1FM9 9CR 8.43373
32 4XB4 45D 8.55263
33 5MWE TCE 8.64198
34 4URX HXY 9.18919
35 6A6A DAL 9.33333
36 3PF7 MLA 9.63855
37 2VHW NAI 9.63855
38 3BZ3 YAM 10.1449
39 5L7G 6QE 10.1639
40 5IXK 6EW 10.8434
41 4WPF 3SN 10.8434
42 6FX0 E9T 10.8434
43 5NTP 98E 10.8434
44 4YV5 SVR 10.8434
45 5NI5 8YB 10.8434
46 5U5G 7VD 10.8434
47 2LBD REA 10.8434
48 5UC9 MYR 11.5044
49 2JE7 XMM 11.7155
50 6CHP F0Y 11.8012
51 5WGQ EST 11.8774
52 5WGD EST 11.8774
53 5HYR EST 12.0155
54 2QA8 GEN 12.0155
55 2V95 HCY 12.0482
56 4DM8 REA 12.0482
57 4KCF AKM 12.0482
58 4ZCC FAD 12.0482
59 5HCV 60R 12.0623
60 2QZT PLM 12.6126
61 1TMX HGX 12.9693
62 3KMR EQN 13.253
63 1OLM VTQ 13.253
64 5OCA 9QZ 13.8655
65 4B1X LAB 14.4578
66 5ZZB LAB 14.4578
67 3IWK NAD 14.4578
68 5YEE LAB 14.4578
69 3RV5 DXC 14.6067
70 4WO4 JLS 15
71 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 15
72 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 15.1515
73 5U98 1KX 15.1515
74 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 15.1515
75 5DM1 5D7 15.6627
76 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 16.3265
77 3GQT UFO 19.2771
78 4HDK 13X 19.2771
79 5KAX RHQ 19.2771
80 6F5W KG1 21.6867
81 2Z7I 742 21.6867
82 4OGQ SQD 24.1379
Pocket No.: 8; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 10
This union binding pocket(no: 8) in the query (biounit: 3rmk.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2UXI G50 4.28571
2 1N83 CLR 4.44444
3 2XSB GDL 7.22892
4 6A0S NDP 9.15033
5 4X8D AVI 9.47712
6 3KYQ DPV 10.8434
7 3SAO NKN 12.0482
8 3I7V ATP 13.253
9 5ZZA LAB 14.4578
10 2OHV NHL 34.9398
Pocket No.: 9; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 238
This union binding pocket(no: 9) in the query (biounit: 3rmk.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5ET3 60C None
2 5LGA 6VH 2
3 5E7V M7E 2
4 2DXU BT5 2.12766
5 5XPL 8C9 2.21402
6 2J1P GRG 2.38908
7 2B96 ANN 2.43902
8 3MDV CL6 2.63158
9 1IN4 ADP 2.69461
10 6AYH C3G 2.98507
11 2O4J VD4 3.08219
12 1D3V ABH 3.09598
13 4CYI ATP 3.26797
14 3MYU VIB 3.48837
15 1U3D FAD 3.59477
16 4JKV 1KS 3.59477
17 3KC1 2T6 3.61446
18 4ZW9 BGC 3.61446
19 4ZW9 GLC 3.61446
20 5N7O 69Y 3.61991
21 2E9L PLM 3.83795
22 3ANP DCC 3.92157
23 6BMS PLM 4.24837
24 3R9C ECL 4.30622
25 5DEY 59T 4.3771
26 2YJD YJD 4.58333
27 5WYF ILP 4.7619
28 3EBL GA4 4.81928
29 1HG4 LPP 4.81928
30 4U63 FAD 4.90196
31 3ZQE DXC 4.91803
32 1JQ9 PHE LEU SER TYR LYS 4.95868
33 1WUB OTP 5.05618
34 3UWB BB2 5.19481
35 5N9T 8QQ 5.22876
36 5IXG OTP 5.32544
37 2Z6D FMN 5.38462
38 3QYY C2E 5.38922
39 5V13 JH3 5.55556
40 4ZBR DIF 5.55556
41 4ZBR NPS 5.55556
42 3HOK Q80 5.5794
43 5W10 CMP 5.64103
44 1W2Y DUN 5.67686
45 6BMM OLB 5.80205
46 2C9E PID 5.8104
47 5L92 C0R 5.85366
48 5L92 MLA 5.85366
49 3W68 VIV 6.01504
50 4MRS GDS 6.0241
51 2A2C ADP 6.0241
52 2A2C NG1 6.0241
53 3SQP 3J8 6.0241
54 2WCJ M21 6.0241
55 4MRV HGD 6.0241
56 1EM6 NBG 6.0241
57 1N46 PFA 6.0241
58 4U82 FPS 6.0241
59 1HXD BTN 6.23053
60 2QQD AG2 6.25
61 1ZPT FAD 6.25
62 5X4Q 7Z6 6.38298
63 2OFV 242 6.4982
64 3LDW IPE 6.86275
65 3GKJ HC3 6.89655
66 4EKQ NPO 6.95187
67 3ZLR X0B 6.96203
68 4J25 OGA 6.9869
69 3IQE F42 7.06714
70 5F1R 42O 7.173
71 5DY5 5GR 7.22892
72 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7.22892
73 3SHZ 5CO 7.22892
74 4XOQ F42 7.22892
75 1GQG DCD 7.22892
76 2AEB ABH 7.22892
77 5BV6 35G 7.22892
78 1G27 BB1 7.22892
79 5Y72 DST 7.22892
80 5F8F SFG 7.22892
81 1LQY BB2 7.22892
82 1A27 EST 7.26644
83 6A5Y 9CR 7.45614
84 3COW 52H 7.6412
85 4GFD 0YB 7.80488
86 4NAT 2W5 8.125
87 4NAT ADP 8.125
88 2EV9 SKM 8.36502
89 2EV9 NAP 8.36502
90 3AHQ FAD 8.43373
91 4DR9 BB2 8.43373
92 4I06 X8A 8.43373
93 2PRG BRL 8.43373
94 3H0A 9RA 8.43373
95 5JFL NAD 8.43373
96 1ZDT PEF 8.43373
97 5LPA 71R 8.43373
98 5LPA ATP 8.43373
99 3CH6 NAP 8.43373
100 3CH6 311 8.43373
101 4U0I 0LI 8.43373
102 3ET3 ET1 8.43373
103 4QJR PIZ 8.43373
104 1RM6 PCD 8.43373
105 1SBR VIB 8.5
106 5HVA DUP 8.57143
107 2YLD CMO 8.66142
108 2OBD PCW 8.82353
109 4LH7 NMN 8.82353
110 3H2B SAH 8.86699
111 4UP3 FAD 8.9172
112 2F59 INI 8.9172
113 3FRQ ERY 9.23077
114 2XXP DSL 9.29648
115 2HK9 NAP 9.45455
116 1L6O SER LEU LYS LEU MET THR THR VAL 9.47368
117 1XRO LEU 9.55631
118 1NYT NAP 9.5941
119 2HJ3 FAD 9.6
120 3I51 6PL 9.62963
121 3MKH FAD 9.63855
122 5LLT DND 9.63855
123 4COL DTP 9.63855
124 4INW 1EY 9.63855
125 1WS1 BB2 9.63855
126 1GPE FAD 9.63855
127 1V47 ADX 9.63855
128 4RW3 TDA 9.63855
129 4I6G FAD 9.63855
130 2GTE VA 9.67742
131 1KPG 16A 9.7561
132 1YBU APC 9.78261
133 1N8V BDD 9.82143
134 2ABS ACP 9.92167
135 6D5E FVG 10.1796
136 6D5G FVD 10.1796
137 6D5M FW4 10.1796
138 3WHB DCC 10.3093
139 3QLM PLM 10.4839
140 5KBZ 3B2 10.8434
141 1U8V FAD 10.8434
142 2QV6 GTP 10.8434
143 6GG9 FMN 10.8434
144 6GL8 F3Q 10.8434
145 2ZSH GA3 10.8434
146 1LSH PLD 10.8434
147 5JKG 6LF 10.8434
148 5OWC AYZ 10.8434
149 1F9A ATP 10.8434
150 4WQ2 3SU 10.8434
151 1N20 3AG 10.8434
152 1OQC FAD 10.8434
153 2X5W K2B 10.8434
154 2IYA ZIO 10.8434
155 5WZU 7W3 11.3821
156 4RFM 3P6 11.6541
157 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 11.7647
158 5HCN DAO 11.8774
159 5KAU RHQ 12.0482
160 3WH1 NAG NAG NAG NAG 12.0482
161 3MMR ABH 12.0482
162 2YOO K2B 12.0482
163 2P54 735 12.0482
164 4Q3S X7A 12.0482
165 1DQE BOM 12.0482
166 3SP6 IL2 12.0482
167 3ET1 ET1 12.0482
168 4P42 PEE 12.0482
169 1FNN ADP 12.0482
170 3GWT 066 12.0482
171 4DQ2 BTX 12.0915
172 2A3I C0R 12.253
173 1N4H REA 12.3552
174 2VZZ SCA 12.844
175 3OTX AP5 12.9683
176 5W7D PX8 13.253
177 4V1T ADP 13.253
178 4R6W PC 13.253
179 5G61 FNY 13.253
180 6C0B PAM 13.253
181 6GMN F4E 13.253
182 3QQA TCH 13.253
183 2AIB ERG 13.253
184 1TFZ 869 13.253
185 3L9R L9Q 13.2653
186 1HK8 DGT 14.3791
187 2P1C GG3 14.4578
188 1PN4 HDC 14.4578
189 4KVL PLM 14.4578
190 5HGR 45D 14.4578
191 4QVX 3CQ 14.9701
192 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 15
193 5C9J STE 15.1515
194 2ALG DAO 15.2174
195 2ALG HP6 15.2174
196 4RHE FMN 15.311
197 1M5B BN1 15.6627
198 4IU0 ABH 15.6627
199 3RGA ILD 15.6627
200 3UXL CFI 15.6627
201 3DLG GWE 15.6627
202 2O1V ADP 16.6667
203 6F68 GSH 16.6667
204 6F68 4EU 16.6667
205 3QVP FAD 16.8675
206 4RGQ 13P 16.8675
207 3GWL FAD 16.8675
208 5OM2 DXT 17.5
209 1MID LAP 17.5824
210 3PG7 PTY 18.0723
211 5V03 658 18.0723
212 5CX6 CDP 18.0723
213 2PT9 2MH 19.2771
214 4PFC 2QX 19.2771
215 4UUW AMP 20.4819
216 4ASE AV9 21.6867
217 4Q9M 2ZW 22.8916
218 4GU5 FAD 24.0964
219 1IYK MYA 24.0964
220 4RZ3 ADP 25.3012
221 2V0U FMN 25.3012
222 5IXH OTP 26.506
223 5JF2 SF7 26.506
224 2WKQ FMN 27.7108
225 4XDA ADP 27.7108
226 2A06 SMA 31.3253
227 5X8Q 82R 31.8182
228 3MEH THP 32.1678
229 2ZMF CMP 33.7349
230 5ZCO PGV 33.9286
231 5Z84 PGV 33.9286
232 2DYR PGV 33.9286
233 2DYS PGV 33.9286
234 5ZCO PEK 33.9286
235 5TCI 79V 36.1446
236 5LY3 ADP 37.5
237 1M2Z DEX 38.0952
238 4UDB CV7 46.6667
Pocket No.: 10; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3rmk.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3rmk.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3rmk.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3rmk.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3rmk.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3rmk.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3rmk.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3rmk.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3RMK; Ligand: BML; Similar sites found with APoc: 7
This union binding pocket(no: 18) in the query (biounit: 3rmk.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3ND6 ATP 5.26316
2 6MVU K4V 8.13008
3 4PNE SAH 8.43373
4 1GHE ACO 10.7345
5 3EXH TPP 10.8434
6 3MBG FAD 12.0482
7 1ZPD DPX 36.1446
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