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Receptor
PDB id Resolution Class Description Source Keywords
1RM6 1.6 Å EC: 1.3.99.20 STRUCTURE OF 4-HYDROXYBENZOYL-COA REDUCTASE FROM THAUERA AROMATICA THAUERA AROMATICA XANTHINE OXIDASE FAMILY DIMER HETEROTRIMERS (A B C)2 OXIDOREDUCTASE
Ref.: STRUCTURE OF A XANTHINE OXIDASE-RELATED 4-HYDROXYBENZOYL-COA REDUCTASE WITH AN ADDITIONAL [4FE-4S] CLUSTER AND AN INVERTED ELECTRON FLOW STRUCTURE V. 12 2249 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:770;
D:770;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
EPE A:930;
A:932;
A:933;
D:931;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
FAD B:900;
E:900;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES C:907;
C:908;
F:907;
F:908;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
K D:771;
Part of Protein;
none;
submit data
39.098 K [K+]
NA A:771;
D:772;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PCD A:920;
D:920;
Valid;
Valid;
none;
none;
submit data
844.471 C19 H26 Mo N8 O16 P2 S2 C1=CN...
SF4 B:910;
E:910;
Part of Protein;
Part of Protein;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
SO4 D:773;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RM6 1.6 Å EC: 1.3.99.20 STRUCTURE OF 4-HYDROXYBENZOYL-COA REDUCTASE FROM THAUERA AROMATICA THAUERA AROMATICA XANTHINE OXIDASE FAMILY DIMER HETEROTRIMERS (A B C)2 OXIDOREDUCTASE
Ref.: STRUCTURE OF A XANTHINE OXIDASE-RELATED 4-HYDROXYBENZOYL-COA REDUCTASE WITH AN ADDITIONAL [4FE-4S] CLUSTER AND AN INVERTED ELECTRON FLOW STRUCTURE V. 12 2249 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SB3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1RM6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SB3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1RM6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1SB3 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1RM6 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Ligand no: 2; Ligand: PCD; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 PCD 1 1
2 CDP 0.517857 0.781609
3 HF4 0.517544 0.781609
4 CTP 0.517544 0.781609
5 C2G 0.512605 0.772727
6 MCN 0.496403 0.909091
7 C5G 0.488 0.784091
8 CDM 0.48 0.731183
9 7XL 0.475 0.764045
10 CXY 0.472441 0.784091
11 C5P 0.464286 0.770115
12 C 0.464286 0.770115
13 CAR 0.464286 0.770115
14 CDC 0.460317 0.683673
15 1AA 0.444444 0.818182
16 2AA 0.434483 0.694444
17 C C C C 0.426357 0.761364
18 91P 0.42069 0.855556
19 C C 0.414062 0.770115
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RM6; Ligand: PCD; Similar sites found with APoc: 181
This union binding pocket(no: 1) in the query (biounit: 1rm6.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 3G5N PB2 2.48447
2 3X01 AMP 3.05344
3 2HAW 2PN 3.10559
4 2Q8M AMP 3.10559
5 3ZZH NLG 3.25733
6 2Z4T C5P 3.50195
7 4US3 TRP 3.7037
8 2ZOF BES 3.7037
9 3EZ2 ADP 3.72671
10 2XOC ADE 3.83142
11 3QIN P1Y 4
12 6F5W KG1 4.06504
13 3LRE ADP 4.34783
14 3THR C2F 4.34783
15 5MZI FYK 4.34783
16 1T32 OHH 4.34783
17 4GA6 AMP 4.34783
18 1P72 THM 4.49102
19 4QAG F95 4.51128
20 4R8L ASP 4.67532
21 2HJR CIT 4.87805
22 4YG6 GAL NAG 4.90798
23 3WWC BUA 4.93827
24 1VEM GLC GLC 4.93827
25 2BHZ MAL 4.96894
26 3B7G ANP 4.96894
27 4MXP DB4 4.96894
28 4IX4 ADP 4.96894
29 1Z82 G3H 5.07463
30 1Z82 G3P 5.07463
31 1V47 ADX 5.24691
32 4A59 AMP 5.24691
33 1G6H ADP 5.44747
34 5TDF ADE 5.55556
35 3HZT J60 5.78158
36 1RL4 BRR 5.85106
37 4UOH ADP 5.96026
38 3MA0 XYP 6.07029
39 1OBD AMP 6.21118
40 4DFU QUE 6.21118
41 1N07 ADP 6.21118
42 3COB ADP 6.21118
43 5WKR NAR 6.21118
44 5C8W PCG 6.29371
45 4P83 U5P 6.59341
46 4E03 ADP 6.8323
47 5IKI A9H 6.8323
48 4UP4 NDG 6.8323
49 3G4Q MCH 6.84932
50 2ZWI C5P 6.97051
51 2VZ6 FEF 7.02875
52 2O1O RIS 7.40741
53 2D3S TNR 7.43802
54 3M3E GAL A2G NPO 7.45342
55 2V9M CIT 7.45342
56 1GPJ CIT 7.45342
57 3C0G 3AM 7.45342
58 5IFK HPA 7.45342
59 4X1Z FUC GAL NDG 7.45342
60 4X6K 3XR 7.45342
61 3GJ0 GDP 7.45342
62 1ZJ6 G3D 7.48663
63 1Q8Q MAN MMA 7.53968
64 1Q8S MAN MMA 7.53968
65 1Y4Z PCI 7.55556
66 2ALG HP6 7.6087
67 2ALG DAO 7.6087
68 1NF8 ISC 7.72947
69 4U00 ADP 7.78689
70 3K5I AIR 8.07453
71 2VHA GLU 8.07453
72 1RV1 IMZ 8.23529
73 1YXM ADE 8.25082
74 6FLZ MMA 8.33333
75 3RMK BML 8.43373
76 5LTJ ADP 8.54342
77 4AG5 ADP 8.69565
78 4RI1 ACO 8.69565
79 1XTT U5P 8.69565
80 1MID LAP 8.79121
81 3KYG 5GP 5GP 8.81057
82 3GGF GVD 8.9701
83 5YJS SAL 8.97436
84 6HKE LMR 9.1195
85 1B7A OPE 9.13978
86 5ZI9 FLC 9.23077
87 1F9V ADP 9.25926
88 1GOJ ADP 9.29577
89 4XDY HIO 9.31677
90 3LTW HLZ 9.31677
91 1CZI PRO PHI SMC NOR 9.31677
92 2C5S AMP 9.31677
93 4UMA GZ3 9.40171
94 1AV5 AP2 9.52381
95 2AWN ADP 9.5679
96 5Y4R C2E 9.65517
97 2ZL4 ALA ALA ALA ALA 9.69388
98 2ON5 GSH 9.70874
99 2W3L DRO 9.72222
100 4JLS 3ZE 9.86842
101 4P5E N6P 9.86842
102 5CK5 GDP 9.93789
103 5L3S G 10.1351
104 4CJN QNZ 10.1852
105 2WPB ZZI 10.1974
106 4B1L FRU 10.303
107 2W58 ADP 10.396
108 2XT3 ADP 10.4651
109 1T0S BML 10.4651
110 5XHA FRU 10.559
111 1TPY 16A 10.559
112 2WW4 ADP 10.6007
113 1QAW TRP 10.8108
114 2J9D ADP 10.9244
115 3T6E UQ9 11.1111
116 5OES ADP 11.1111
117 4BG4 ARG 11.1801
118 3HQP FDP 11.1801
119 4BHL ARG 11.1801
120 3SLS 77D 11.1801
121 3TD3 GLY 11.3821
122 2WJH GDP 11.4458
123 5F90 LMR 11.5385
124 4INI AMP 11.5385
125 1UCD URA 11.5789
126 4GPS CIT 11.8012
127 2CFC KPC 11.8012
128 4SGA ACE PRO ALA PRO PHE 11.8012
129 4ZCW 4NG 11.8012
130 4SLI CNP 11.8012
131 5YRM BGC GLC 11.9718
132 2OFW ADX 12.0192
133 1LVG ADP 12.1212
134 1R0X ATP 12.2378
135 3ZZQ TRP 12.3077
136 2YIP YIO 12.3188
137 5XVS UDP 12.3457
138 6HQD SRT 12.4224
139 5WIU AQD 12.4224
140 3N7S 3N7 12.5
141 1NE6 SP1 13.0435
142 2PEL LBT 13.0435
143 4CVN ADP 13.1387
144 1DCP HBI 13.4615
145 2NU8 COA 13.5417
146 1BG2 ADP 13.5802
147 2VVG ADP 13.6646
148 5OD2 5ID 13.6646
149 5TSH ANP 13.6646
150 1FWY UD1 14.2857
151 1HV9 UD1 14.2857
152 3N1S 5GP 15.126
153 2ED4 NAD 15.4362
154 3W9K MYR 15.8273
155 3OCP CMP 15.8273
156 5M45 AMP 16.1491
157 3GDH SAH 16.1491
158 3O7J 2AL 16.9312
159 5MWE TCE 17.1429
160 3P48 DUP 17.6871
161 3BRN SRO 17.8344
162 4Z28 BTN 17.9104
163 4K10 NI9 18.0124
164 6HDT BTN 18.0451
165 5VL2 9EG 18.9394
166 5YRJ BGC GLC 19.0141
167 5YRG BGC GLC 19.0141
168 1XXA ARG 19.2308
169 4K47 WMP 19.2708
170 1CT9 AMP 19.4444
171 1Z0N BCD 20.8333
172 1NU4 MLA 24.7423
173 1NBU PH2 26.0504
174 4WNP 3RJ 26.087
175 2D4V FLC 28.5714
176 1WAP TRP 37.3333
177 3NRZ MTE 49.6894
178 1FIQ MTE 49.6894
179 1FIQ SAL 49.6894
180 3NRZ HPA 49.6894
181 1V97 MTE 49.6894
Pocket No.: 2; Query (leader) PDB : 1RM6; Ligand: FAD; Similar sites found with APoc: 223
This union binding pocket(no: 2) in the query (biounit: 1rm6.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZDQ MSM 2.77778
2 1HFU NAG NDG 3.10559
3 5CX6 CDP 3.10559
4 1OXV ANP 3.10559
5 3VYW SAM 3.24675
6 2WE0 UMP 3.4965
7 6I6X TLA 3.66826
8 1Q19 SSC 3.72671
9 5ZXD ATP 3.72671
10 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 3.72671
11 1PZM 5GP 3.79147
12 6F5W KG1 4.06504
13 4QM7 GTP 4.09357
14 4WOH 4NP 4.21687
15 3VPD BUA 4.27046
16 2WCV FUC 4.28571
17 2ZTG A5A 4.32099
18 3B6O TMP 4.34783
19 3LRE ADP 4.34783
20 5TE1 7A2 4.34783
21 3THR C2F 4.34783
22 3R7F CP 4.34783
23 1JPA ANP 4.34783
24 3EWA ANP 4.34783
25 1GXU 2HP 4.3956
26 5DMZ ADP 4.65753
27 1QK3 5GP 4.72103
28 1G8S MET 4.78261
29 3R3V FAH 4.90196
30 1HGX 5GP 4.91803
31 3HQ9 OXL 4.92754
32 2CUN 3PG 4.93827
33 5WPJ NDP 4.93827
34 2I0K FAD 4.96894
35 2JBH 5GP 4.96894
36 6E1Q CFA 4.96894
37 3T64 DU3 4.96894
38 4O6M C5P 5.10753
39 4ZTD ALA GLY ALA GLY ALA 5.13834
40 5VRH OLC 5.17241
41 5WSY 7UC 5.20231
42 1KPG 16A 5.22648
43 3WMX THR 5.30726
44 3CQL NAG 5.34979
45 1JJ7 ADP 5.38462
46 1G6H ADP 5.44747
47 2F6U CIT 5.55556
48 3DRW AMP 5.55556
49 2WPX ACO 5.55556
50 2WHX ADP 5.59006
51 3RC3 ANP 5.59006
52 6B74 BEN 5.59006
53 2GKS ADP 5.59006
54 5MB4 NDG 5.59006
55 5MB4 NAG 5.59006
56 3TAO PGH 5.61798
57 5LV1 78T 5.71429
58 4IA6 EIC 5.75296
59 5FYR INS 6.04027
60 2F5X ASP 6.08974
61 1V8K ANP 6.09756
62 2Q4W FAD 6.21118
63 4P8K FAD 6.21118
64 4P8K 38C 6.21118
65 3COB ADP 6.21118
66 1OBD AMP 6.21118
67 1KYA XYD 6.21118
68 1IXI 2HP 6.21118
69 3UWV 2PG 6.21118
70 4IEE AGS 6.21118
71 6AM8 TRP 6.21118
72 1JI0 ATP 6.21118
73 6CS8 F9Y 6.27063
74 5N18 8HZ 6.42202
75 5LVP ATP 6.43087
76 5AE2 FAD 6.48148
77 5AE2 FYC 6.48148
78 3F81 STT 6.55738
79 3FXU TSU 6.55738
80 4P83 U5P 6.59341
81 1RRC ADP 6.64452
82 1QB7 ADE 6.77966
83 4UP4 GAL NAG 6.8323
84 3W8X FTK 6.8323
85 1I1E DM2 6.8323
86 3P4X ADP 6.8323
87 1N0U SO1 6.8323
88 3W8X FAD 6.8323
89 5FII PHE 6.86275
90 5AEW BNL 6.91489
91 3N8K D1X 6.97674
92 2VZ6 FEF 7.02875
93 3N9R TD3 7.16612
94 1QDS PGA 7.17131
95 3ITJ CIT 7.45342
96 5OFW 9TW 7.45342
97 3BY9 SIN 7.45342
98 3LE7 ADE 7.45342
99 2I4O ATP 7.45342
100 2PHR MAN MAN BMA MAN 7.53968
101 3CM2 X23 7.69231
102 4URG C2E 7.78443
103 4U00 ADP 7.78689
104 3EHG ATP 7.8125
105 5YW5 ADE 7.82123
106 6CBO DOW 7.97267
107 1E8G FCR 8.07453
108 1E8G FAD 8.07453
109 4WZ6 ATP 8.07453
110 2JK0 ASP 8.07453
111 4J4V SVR 8.07453
112 5CPR SAM 8.20895
113 1YXM ADE 8.25082
114 6C92 EGV 8.64198
115 2PS1 ORO 8.69565
116 2PS1 PRP 8.69565
117 2MBR FAD 8.69565
118 1XTT U5P 8.69565
119 2MBR EPU 8.69565
120 5Y5Q DUT 8.69565
121 5GVR LMR 8.97436
122 1V9T SIN ALA PRO ALA NIT 9.03614
123 4XFM THE 9.05172
124 6HKE LMR 9.1195
125 6HKE MLT 9.1195
126 1HSK FAD 9.20245
127 1W7J ADP BEF 9.27152
128 5XQL C2E 9.27835
129 1GOJ ADP 9.29577
130 3FIU POP 9.31677
131 1T5C ADP 9.31677
132 4JB1 NAP 9.41177
133 4JB1 FAD 9.41177
134 2AWN ADP 9.5679
135 4JLS 3ZE 9.86842
136 3IP8 B85 10.0806
137 1OJ4 ANP 10.2473
138 3UEC ALA ARG TPO LYS 10.274
139 2PZE ATP 10.4803
140 1IK4 PGH 10.5263
141 3ACC 5GP 10.559
142 3ZFD ANP 10.559
143 2WW4 ADP 10.6007
144 1UYY BGC BGC 10.687
145 4DC2 ADE 10.7143
146 2GQT FAD 10.8209
147 3JQM GTP 10.828
148 5MTE BB2 10.9489
149 3NHB ADP 11.1111
150 2D2F ADP 11.1801
151 4PPF FLC 11.1801
152 3HQP OXL 11.1801
153 5VJN ADE 11.2299
154 1B4B ARG 11.2676
155 2VVT DGL 11.3793
156 5A7C 5D4 11.5044
157 1F0X FAD 11.8012
158 4U60 SIA GAL NGA 11.8012
159 4U60 SIA 11.8012
160 2NSJ C2R 11.8343
161 4P86 5GP 12.0219
162 1SW0 PGA 12.0968
163 3LN9 FLC 12.2302
164 2YIP YIO 12.3188
165 1VAY AZA 12.5436
166 2VDF OCT 12.6482
167 3QXV MTX 12.6984
168 4YSX MLI 12.8205
169 1L1Q 9DA 12.9032
170 4DE3 DN8 12.9278
171 2WT9 NIO 13.0435
172 2WA2 SAM 13.0435
173 4AUT FAD 13.2716
174 5TQZ GLC 13.3333
175 4EHQ GBL 13.5135
176 1LNX URI 13.5802
177 2VVG ADP 13.6646
178 3B6C SDN 13.6646
179 1NME 159 14.1304
180 3TTM PUT 14.2857
181 4B2D FBP 14.2857
182 2UUU FAD 14.9068
183 2UUU PL3 14.9068
184 1U6R IOM 14.9068
185 2OG2 MLI 14.9068
186 3B9Q MLI 14.9068
187 4ZNO SUC 14.9068
188 1VKF CIT 15.9574
189 5TH5 MET 15.9696
190 2OEM 1AE 16.1491
191 1MZV AMP 16.5957
192 5TED SKM 17.2566
193 2DT9 THR 17.3653
194 3P48 DUP 17.6871
195 1IV2 CDP 17.7632
196 1UPF URF 18.0124
197 2WDQ TEO 18.0124
198 6MJ7 ARG 18.1818
199 4MUS LY0 18.4834
200 4MUS 2D8 18.4834
201 5WC2 ADP 18.6335
202 3KO0 TFP 18.8119
203 2QRD ATP 18.9781
204 1XXA ARG 19.2308
205 1XP8 AGS 19.2547
206 1CT9 GLN 19.4444
207 1O5O U5P 20.4969
208 1PVC ILE SER GLU VAL 20.5882
209 4EKQ NPO 21.118
210 1SJN DUP 21.7647
211 3O5N BR0 22.3214
212 4YMU ATP 22.3602
213 5SXS NIZ 22.9814
214 5E5U MLI 23.6025
215 3VPB GLU 25
216 4RT1 C2E 25
217 1YQT ADP 27.3292
218 1ZOY UQ1 37.8641
219 3ZIA ADP 38.0952
220 2Y65 ADP 40
221 1FIQ FAD 49.6894
222 3NRZ FAD 49.6894
223 1V97 FAD 49.6894
224 5YV5 ADP 50
Pocket No.: 3; Query (leader) PDB : 1RM6; Ligand: FAD; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 1rm6.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3A1I UNU 3.7037
3 3UXM 0DN 4.2654
4 2BIF SIN 4.34783
5 2GZM DGL 4.86891
6 2JFQ DGL 5.24476
7 6EK3 OUL 5.88235
8 3AB4 THR 6.79012
9 1ZUW DGL 6.98529
10 2J5V RGP 7.35695
11 5OQW A4E 7.87402
12 2DWU DGL 8.07453
13 4RF7 ARG 8.69565
14 1XE7 GUN 8.86699
15 1SNN 5RP 9.2511
16 4OKS 2T9 9.25926
17 4OOP DUP 9.63855
18 5HJQ I3P 9.87654
19 1S14 NOV 10.3093
20 4P8O 883 12.2995
21 1DQN IMU 12.6087
22 3F4F UMP 13.1737
23 2NU8 COA 13.5417
24 4HY1 19X 13.6646
25 1X0P FAD 19.5804
26 3CL7 HYN 21.118
27 1IR3 ANP 22.2222
28 2NLQ GLY 30.5556
Pocket No.: 4; Query (leader) PDB : 1RM6; Ligand: PCD; Similar sites found with APoc: 39
This union binding pocket(no: 4) in the query (biounit: 1rm6.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 6FXR UDP 2.77778
2 4IP7 FLC 4.34783
3 4EZW ASN ARG LEU LEU LEU THR GLY 4.56621
4 5DEQ ARA 4.82456
5 1XA4 COA 5.03433
6 3QTP 2PG 5.59006
7 2C3Q GTX 5.66802
8 5NXX 3Q7 5.97015
9 1VBO MAN MAN MAN 6.71141
10 1WRA PC 6.8323
11 3N8K D1X 6.97674
12 4N2R FUB 7.18563
13 6CS9 PIO 7.31707
14 2GNM MAN 7.53968
15 3OBT SLB 8.07453
16 5VX5 FUC GAL NAG GAL BGC 8.64198
17 2XI7 XI7 8.69565
18 3B1Q NOS 8.69565
19 2IS6 ADP 9.31677
20 3R77 QLI 9.31677
21 3AI8 HNQ 9.375
22 2F7A CCU 9.48276
23 1P6O HPY 9.93789
24 3MDV CL6 9.93789
25 3GUZ PAF 10.2273
26 3JRS A8S 10.559
27 2O66 FLC 11.1111
28 2JDU MFU 11.3043
29 1SU2 ATP 11.3208
30 5YRL GLC GLC 11.9718
31 5GOE GDP 12.3223
32 3DOO SKM 12.9964
33 4YMJ 4EJ 13.0435
34 4FBL SPD 13.5231
35 3MBI HSX 13.5889
36 5D63 FUC GLA GLA 14.9068
37 3H4S ADP 15.5556
38 4YDU ADP 16.4557
39 5X80 SAL 19.375
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