-->
Receptor
PDB id Resolution Class Description Source Keywords
4NMC 1.9 Å EC: 1.2.1.88_1.5.1.12 CRYSTAL STRUCTURE OF OXIDIZED PROLINE UTILIZATION A (PUTA) F GEOBACTER SULFURREDUCENS PCA COMPLEXED WITH ZWITTERGENT 3-1 GEOBACTER SULFURREDUCENS FLAVOENZYME ROSSMANN FOLD ALDEHYDE DEHYDROGENASE FLAVIN ADINUCLEOTIDE NICOTINAMIDE ADENINE DINUCLEOTIDE PROLINE CASUBSTRATE CHANNELING BIFUNCTIONAL ENZYME OXIDOREDUCTASE
Ref.: STRUCTURES OF THE PUTA PERIPHERAL MEMBRANE FLAVOENZ REVEAL A DYNAMIC SUBSTRATE-CHANNELING TUNNEL AND TH QUINONE-BINDING SITE. PROC.NATL.ACAD.SCI.USA V. 111 3389 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K B:2004;
A:2003;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
PG4 A:2002;
B:2003;
B:2002;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
FAD A:2001;
B:2001;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
C15 B:2005;
Invalid;
none;
submit data
336.554 C17 H38 N O3 S CCCCC...
2OP B:2006;
Valid;
none;
submit data
90.078 C3 H6 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NMC 1.9 Å EC: 1.2.1.88_1.5.1.12 CRYSTAL STRUCTURE OF OXIDIZED PROLINE UTILIZATION A (PUTA) F GEOBACTER SULFURREDUCENS PCA COMPLEXED WITH ZWITTERGENT 3-1 GEOBACTER SULFURREDUCENS FLAVOENZYME ROSSMANN FOLD ALDEHYDE DEHYDROGENASE FLAVIN ADINUCLEOTIDE NICOTINAMIDE ADENINE DINUCLEOTIDE PROLINE CASUBSTRATE CHANNELING BIFUNCTIONAL ENZYME OXIDOREDUCTASE
Ref.: STRUCTURES OF THE PUTA PERIPHERAL MEMBRANE FLAVOENZ REVEAL A DYNAMIC SUBSTRATE-CHANNELING TUNNEL AND TH QUINONE-BINDING SITE. PROC.NATL.ACAD.SCI.USA V. 111 3389 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NMF - 2L3 C11 H10 O5 S C[C@]1(CC(....
2 4NM9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4NMA - TFB C5 H8 O3 C1C[C@H](O....
4 4NMB - 2OP C3 H6 O3 C[C@@H](C(....
5 4NMC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4NMD - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NMF - 2L3 C11 H10 O5 S C[C@]1(CC(....
2 4NM9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4NMA - TFB C5 H8 O3 C1C[C@H](O....
4 4NMB - 2OP C3 H6 O3 C[C@@H](C(....
5 4NMC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4NMD - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NMF - 2L3 C11 H10 O5 S C[C@]1(CC(....
2 4NM9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4NMA - TFB C5 H8 O3 C1C[C@H](O....
4 4NMB - 2OP C3 H6 O3 C[C@@H](C(....
5 4NMC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 4NMD - FDA C27 H35 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: 2OP; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 LAC 1 1
2 2OP 1 1
3 HBS 0.6 0.615385
4 HBR 0.6 0.615385
5 2RH 0.5 0.631579
6 TAR 0.5 0.611111
7 TLA 0.5 0.611111
8 SRT 0.5 0.611111
9 IPM 0.47619 0.631579
10 KIV 0.444444 0.625
11 LFC 0.434783 0.8
12 23B 0.428571 0.631579
13 QFH 0.428571 0.631579
14 WTZ 0.428571 0.631579
15 RAT 0.421053 0.611111
16 LGT 0.421053 0.611111
17 GAE 0.421053 0.611111
18 3LR 0.4 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NMC; Ligand: FAD; Similar sites found with APoc: 223
This union binding pocket(no: 1) in the query (biounit: 4nmc.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3V2Q PLM None
3 6EOP F15 0.668151
4 4LHD GLY 1.01729
5 6EZ6 C5Z 1.09453
6 4KCT PYR 1.60321
7 4CQB MLI 1.65485
8 6E1Q CFA 1.68067
9 1CT9 AMP 1.80832
10 2BMB PMM 1.83486
11 5JOX EDG 1.93798
12 4I9A NCN 2.08333
13 1VRP ADP 2.09974
14 5CX6 CDP 2.12766
15 5BU2 AMP 2.20264
16 4IP7 FLC 2.20994
17 2JBM SRT 2.34114
18 4GNC ASO 2.34114
19 5AHO TLA 2.38095
20 4AMW 5DI 2.38806
21 3EF0 ALF 2.41935
22 5WP4 SAH 2.44399
23 2G50 PYR 2.45283
24 5BRP PNG 2.46479
25 4QO5 NAG 2.4952
26 2BP1 FLC 2.5
27 4QDF 30Q 2.5641
28 3VC1 SAH 2.5641
29 1F9V ADP 2.59366
30 5YQW CBS 2.63158
31 2OHV NHL 2.65152
32 1RZM E4P 2.66272
33 4A91 GLU 2.68456
34 4CNG SAH 2.7451
35 6GVD FDK 2.78261
36 3UXM 0DN 2.8436
37 3JQQ A2P 2.8481
38 5ZMY TAR 2.86624
39 1O68 KIV 2.90909
40 1SR9 KIV 2.95031
41 6BT4 KPM 2.9703
42 6BE0 IHP 2.98013
43 3FSY SCA 3.01205
44 5KJW 53C 3.0445
45 1H5R THM 3.07167
46 3EPO MP5 3.10458
47 5X7Q GLC GLC GLC GLC 3.18408
48 5X7Q GLC GLC GLC 3.18408
49 3APT FAD 3.22581
50 5A07 GDP 3.22581
51 5L2R MLA 3.31126
52 3HQP OXL 3.40681
53 6FCX FAD 3.41463
54 2XN2 GLA 3.4153
55 3AI3 SOE 3.42205
56 5WP5 SAH 3.46232
57 4RF7 ARG 3.48189
58 1ZPT FAD 3.61842
59 4JH6 FCN 3.62319
60 3B9O FMN 3.63636
61 1P77 ATR 3.67647
62 1GYM MYG 3.69128
63 4A59 AMP 3.76432
64 2I6A 5I5 3.76812
65 5UL4 SAM 3.78109
66 1SDW IYT 3.82166
67 4RHP PEF 3.82979
68 2HKA C3S 3.84615
69 3EGI ADP 3.8835
70 1TE2 PGA 3.9823
71 3UPY FOM 4.04494
72 3GXO MQA 4.06504
73 2J8R MSL 4.06977
74 2IV3 UDP 4.09357
75 3W68 PBU 4.13534
76 5WS9 OXL 4.21053
77 3B4Y F42 4.21348
78 6FNU FAD 4.22078
79 4XJ2 FMN 4.25532
80 4PTN GXV 4.37318
81 5F7J ADE 4.375
82 3WV6 GAL BGC 4.39189
83 2EFE GNH 4.41989
84 4J4V SVR 4.43548
85 5KZD RCJ 4.43686
86 5DG2 GAL GLC 4.44444
87 5H9O GLC 4.54545
88 5UN9 NHT 4.56349
89 3NZ1 3NY 4.5977
90 1Q6O LG6 4.62963
91 6EWZ APC 4.64135
92 3U6W KIV 4.68384
93 6FC1 MGP 4.6875
94 5L8N 6RQ 4.6875
95 2C1Q BTN 4.7619
96 1CQ1 PQQ 4.77612
97 3G5K BB2 4.91803
98 5WAN FMN 4.96278
99 1DEK DGP 4.97925
100 1BW9 NAD 5.05618
101 1BXG NAD 5.05618
102 4D52 GIV 5.07937
103 3EW2 BTN 5.18518
104 6HDT BTN 5.26316
105 3ANY 2A3 5.32319
106 5UC4 83S 5.45455
107 1WHT BZS 5.46875
108 5C1P ADP 5.55556
109 3M3E GAL A2G NPO 5.59006
110 6BSW UDP 5.6213
111 2YPI PGA 5.66802
112 1EYE PMM 5.71429
113 1LSS NAD 5.71429
114 2J5V RGP 5.72207
115 3FGC FMN 5.72289
116 4KRI 1SH 5.77367
117 2BCG GER 5.82524
118 1Q7E MET 5.84112
119 2ZWI C5P 5.89812
120 4F06 PHB 5.92992
121 4UCC ZKW 6.00858
122 6FWH 5LD 6.09137
123 2AJH MET 6.12245
124 5WGD EST 6.13027
125 1SQL GUN 6.16438
126 4LJ9 ACP 6.19469
127 5L95 AMP 6.25
128 5ZZ6 ADP 6.25
129 3N9O OGA 6.25
130 4BQS ADP 6.25
131 4MG8 27J 6.27451
132 4TUZ 36J 6.27451
133 2D6M LBT 6.28931
134 1WLJ U5P 6.34921
135 4TV1 36M 6.3745
136 4XDA RIB 6.47249
137 4NZF ARB 6.47321
138 5DX3 EST 6.51341
139 5W3X IHP 6.53409
140 5W3Y ACO 6.53409
141 5W3Y IHP 6.53409
142 3L9W AMP 6.53753
143 1JQY A32 6.79612
144 5BXV MGP 6.81818
145 2HMT NAI 6.94444
146 1RHC F42 ACN 6.9697
147 4RW3 IPD 7.28477
148 1NYT NAP 7.38007
149 5VLC HSO 7.3991
150 2VT3 ATP 7.44186
151 5K7U SAM 7.55556
152 5TCI 79V 7.56098
153 5UIJ TYD 7.65432
154 3OQJ 3CX 7.7821
155 5EXK MET 7.85498
156 2IDV M7G 7.9096
157 2VEG PMM 7.96178
158 2YIP YIO 7.97101
159 1VKF CIT 7.97872
160 5JDI 6JO 7.98611
161 3JQ9 AX1 7.98611
162 1N8V BDD 8.03571
163 5F74 AMP 8.13008
164 3EXS 5RP 8.1448
165 4YMU ARG 8.18182
166 3H8V ATP 8.21918
167 1W8S FBP 8.36502
168 2X1L ADN 8.58779
169 5OVK NDP 8.59375
170 1S4P GDP 8.62069
171 3RET PYR 8.91089
172 3VWX GSH 9.00901
173 4NAE 1GP 9.2511
174 3KP6 SAL 9.27152
175 3NV3 GAL NAG MAN 9.42029
176 6GNO XDI 9.62963
177 5XQW 8EU 9.67742
178 1QPR PHT 9.85915
179 1QPR PPC 9.85915
180 2YMZ LAT 10
181 3H22 B53 10.101
182 4BS0 6NT 10.6918
183 2XNJ NAP 10.9023
184 3G6K FAD 11.039
185 2BES RES 11.0465
186 4RL4 PPV 11.3208
187 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 11.5741
188 2FKA BEF 11.6279
189 2BOS GLA GAL GLC NBU 11.7647
190 3WG3 A2G GAL NAG FUC 12.3596
191 2WMC MGP 12.3596
192 4L8F MTX 12.5
193 3QH2 3NM 12.6697
194 5VE5 GSH 12.7321
195 3KDM TES 12.844
196 2HK9 ATR 13.0909
197 6BTN E8M 13.3663
198 5H9Q TD2 13.5484
199 1JW0 GUA 14.557
200 5ABX MGP 14.6341
201 1UO5 PIH 14.7059
202 1UO4 PIH 14.7059
203 1I7M PUT 14.9254
204 1B74 DGN 14.9606
205 5C8W PCG 15.3846
206 4OSP 2V4 15.9696
207 3N9P OGA 18.75
208 4OGQ 7PH 18.9189
209 1ONI BEZ 20.2899
210 1Y7P RIP 21.9731
211 5W97 CHD 24.6575
212 5ZCO PGV 24.6575
213 4O8A FAD 33.4789
214 4O8A 2OP 33.4789
215 3N9Q OGA 35.2941
216 1TIW TFB 40.1993
217 1TIW FAD 40.1993
218 3HAZ FAD 41.9901
219 5KF6 FAD 44.0796
220 5KF6 TFB 44.0796
221 4H6Q TFB 49.0385
222 4H6Q FAD 49.0385
223 2G37 FAD 49.8471
Pocket No.: 2; Query (leader) PDB : 4NMC; Ligand: 2OP; Similar sites found with APoc: 210
This union binding pocket(no: 2) in the query (biounit: 4nmc.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3V2Q PLM None
3 6EOP F15 0.668151
4 4LHD GLY 1.01729
5 4KCT PYR 1.60321
6 4CQB MLI 1.65485
7 6E1Q CFA 1.68067
8 4L9I 8PR 1.78571
9 1CT9 AMP 1.80832
10 2BMB PMM 1.83486
11 5JOX EDG 1.93798
12 3MKK GLC BGC 1.95195
13 4M3P HCS 1.97044
14 4I9A NCN 2.08333
15 1VRP ADP 2.09974
16 5CX6 CDP 2.12766
17 5BU2 AMP 2.20264
18 4IP7 FLC 2.20994
19 2JBM SRT 2.34114
20 5AHO TLA 2.38095
21 4AMW 5DI 2.38806
22 3EF0 ALF 2.41935
23 2G50 PYR 2.45283
24 5BRP PNG 2.46479
25 4QO5 NAG 2.4952
26 2BP1 FLC 2.5
27 3S5W ONH 2.59179
28 1F9V ADP 2.59366
29 1RZM E4P 2.66272
30 4A91 GLU 2.68456
31 4CNG SAH 2.7451
32 6GVD FDK 2.78261
33 3UXM 0DN 2.8436
34 3JQQ A2P 2.8481
35 5ZMY TAR 2.86624
36 1O68 KIV 2.90909
37 1SR9 KIV 2.95031
38 6BT4 KPM 2.9703
39 6BE0 IHP 2.98013
40 3TKY N7I 2.98913
41 3FSY SCA 3.01205
42 5KJW 53C 3.0445
43 3EPO MP5 3.10458
44 3TTM PUT 3.17919
45 5X7Q GLC GLC GLC GLC 3.18408
46 5X7Q GLC GLC GLC 3.18408
47 3APT FAD 3.22581
48 5A07 GDP 3.22581
49 5L2R MLA 3.31126
50 3HQP OXL 3.40681
51 3HQP FDP 3.40681
52 6FCX FAD 3.41463
53 2XN2 GLA 3.4153
54 3AI3 SOE 3.42205
55 5WP5 SAH 3.46232
56 4RF7 ARG 3.48189
57 2CI5 HCS 3.52113
58 3WJO IPE 3.56083
59 1ZPT FAD 3.61842
60 3B9O FMN 3.63636
61 1P77 ATR 3.67647
62 1GYM MYG 3.69128
63 4A59 AMP 3.76432
64 2I6A 5I5 3.76812
65 5UL4 SAM 3.78109
66 1SDW IYT 3.82166
67 4RHP PEF 3.82979
68 2HKA C3S 3.84615
69 3EGI ADP 3.8835
70 1TE2 PGA 3.9823
71 3UPY FOM 4.04494
72 1H74 ILE 4.05405
73 3GXO MQA 4.06504
74 3W68 PBU 4.13534
75 5WS9 OXL 4.21053
76 3B4Y F42 4.21348
77 6FNU FAD 4.22078
78 4PTN GXV 4.37318
79 3WV6 GAL BGC 4.39189
80 4J4V SVR 4.43548
81 5KZD RCJ 4.43686
82 5DG2 GAL GLC 4.44444
83 5H9O GLC 4.54545
84 5UN9 NHT 4.56349
85 2J83 BAT 4.58015
86 6EWZ APC 4.64135
87 3U6W KIV 4.68384
88 6FC1 MGP 4.6875
89 5L8N 6RQ 4.6875
90 2C1Q BTN 4.7619
91 4WUJ FMN 4.7619
92 3G5K BB2 4.91803
93 1M3U KPL 4.92424
94 5WAN FMN 4.96278
95 1DEK DGP 4.97925
96 1BW9 NAD 5.05618
97 4D52 GIV 5.07937
98 3ANY 2A3 5.32319
99 5OKU 0L1 5.38922
100 5UC4 83S 5.45455
101 5C1P ADP 5.55556
102 3M3E GAL A2G NPO 5.59006
103 4Q4K FMN 5.60224
104 2YPI PGA 5.66802
105 1EYE PMM 5.71429
106 2J5V RGP 5.72207
107 3FGC FMN 5.72289
108 4KRI 1SH 5.77367
109 2BCG GER 5.82524
110 1Q7E MET 5.84112
111 4BHL ARG 5.89888
112 4F06 PHB 5.92992
113 4UCC ZKW 6.00858
114 6FWH 5LD 6.09137
115 2AJH MET 6.12245
116 5WGD EST 6.13027
117 1SQL GUN 6.16438
118 4LJ9 ACP 6.19469
119 3N9O OGA 6.25
120 5L95 AMP 6.25
121 4BQS ADP 6.25
122 4MG8 27J 6.27451
123 2D6M LBT 6.28931
124 1WLJ U5P 6.34921
125 4TV1 36M 6.3745
126 4XDA RIB 6.47249
127 4NZF ARB 6.47321
128 5DX3 EST 6.51341
129 5W3X IHP 6.53409
130 5W3X ACO 6.53409
131 5W3Y ACO 6.53409
132 5W3Y IHP 6.53409
133 1GVE CIT 6.72783
134 1JQY A32 6.79612
135 5BXV MGP 6.81818
136 1RHC F42 ACN 6.9697
137 1UAS GLA 7.18232
138 4RW3 IPD 7.28477
139 2VT3 ATP 7.44186
140 5K7U SAM 7.55556
141 5TCI 79V 7.56098
142 3OQJ 3CX 7.7821
143 5EXK MET 7.85498
144 2IDV M7G 7.9096
145 2VEG PMM 7.96178
146 2YIP YIO 7.97101
147 1VKF CIT 7.97872
148 5JDI 6JO 7.98611
149 4CMI M4V 7.98611
150 3JQ9 AX1 7.98611
151 3BMN NAP 7.98611
152 5F74 AMP 8.13008
153 3EXS 5RP 8.1448
154 4YMU ARG 8.18182
155 3H8V ATP 8.21918
156 1W8S FBP 8.36502
157 2X1L ADN 8.58779
158 5OVK NDP 8.59375
159 1S4P GDP 8.62069
160 3RET PYR 8.91089
161 4NAE 1GP 9.2511
162 3KP6 SAL 9.27152
163 3NV3 GAL NAG MAN 9.42029
164 1H0A I3P 9.49367
165 5XQW 8EU 9.67742
166 1QPR PHT 9.85915
167 1QPR PPC 9.85915
168 2YMZ LAT 10
169 3H22 B53 10.101
170 4BS0 6NT 10.6918
171 2XNJ NAP 10.9023
172 3G6K FAD 11.039
173 4RL4 PPV 11.3208
174 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 11.5741
175 2FKA BEF 11.6279
176 2BOS GLA GAL GLC NBU 11.7647
177 3WG3 A2G GAL NAG FUC 12.3596
178 2WMC MGP 12.3596
179 4L8F MTX 12.5
180 3QH2 3NM 12.6697
181 5VE5 GSH 12.7321
182 3KDM TES 12.844
183 2HK9 ATR 13.0909
184 5H9Q TD2 13.5484
185 1UJP CIT 14.0221
186 1JW0 GUA 14.557
187 5ABX MGP 14.6341
188 1UO5 PIH 14.7059
189 1UO4 PIH 14.7059
190 1B74 DGN 14.9606
191 5C8W PCG 15.3846
192 4OSP 2V4 15.9696
193 3N9P OGA 18.75
194 4OGQ 7PH 18.9189
195 1ONI BEZ 20.2899
196 4JGX PLM 21.7054
197 1Y7P RIP 21.9731
198 5W97 CHD 24.6575
199 5ZCO PGV 24.6575
200 4O8A FAD 33.4789
201 4O8A 2OP 33.4789
202 3N9Q OGA 35.2941
203 1TIW TFB 40.1993
204 1TIW FAD 40.1993
205 3HAZ FAD 41.9901
206 5KF6 FAD 44.0796
207 5KF6 TFB 44.0796
208 4H6Q TFB 49.0385
209 4H6Q FAD 49.0385
210 2G37 FAD 49.8471
Pocket No.: 3; Query (leader) PDB : 4NMC; Ligand: FAD; Similar sites found with APoc: 76
This union binding pocket(no: 3) in the query (biounit: 4nmc.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 6BKK 308 None
2 2HHP FLC 1.13208
3 1NJJ GET 1.64706
4 5E9G GLV 1.78571
5 1SZ0 M6P 1.85185
6 5UF1 FUC GAL NAG 2.02429
7 1SW1 PBE 2.18182
8 4U98 ACP 2.20264
9 3KVY URA 2.26537
10 6DAW ARG 2.33918
11 6BMN PAP 2.37288
12 5M90 JIF 2.58621
13 1OF8 PEP 2.7027
14 5UFC DR2 2.82258
15 3EJW PAV 2.85714
16 5BXA MAN 2.88462
17 3PPQ CHT 2.89389
18 2YFO GAL 2.91667
19 2YFO GLA 2.91667
20 5G48 1FL 2.94118
21 3GLC R5P 3.05085
22 6CGN DA 3.28571
23 1AX2 NDG GAL 3.76569
24 2WZM NA7 4.24028
25 6GVZ CHO 4.2623
26 3WV6 GAL GLC 4.39189
27 3WBZ ATP 4.42804
28 3WUG XYP 4.47284
29 5T9C G3P 4.47761
30 5YLF BGC 4.49102
31 2WSI FAD 4.57516
32 2J83 BAT 4.58015
33 5YJS SAL 4.87179
34 4PZ6 GMP 4.96278
35 4D4U FUC GAL NAG 5.07937
36 1R6N 434 5.21327
37 4RT1 C2E 5.35714
38 3A23 GAL 5.37459
39 3E3U NVC 5.58376
40 2Y7G AAE 5.67376
41 4BTV RB3 5.81395
42 5T46 MGP 5.90909
43 3K5I ADP 5.95534
44 5EI3 5O8 5.99078
45 2C5S AMP 6.05327
46 2TPS TPS 6.1674
47 1KTC NGA 6.17284
48 5HZX 2GE 6.25
49 5LY1 PPI 6.29921
50 1UNQ 4IP 6.4
51 4UEC MGT 6.52174
52 1EJ4 M7G 6.84211
53 1L8B MGP 6.84211
54 2JDU MFU 6.95652
55 3H55 GLA 7
56 1UAS GLA 7.18232
57 6BSX E7S 7.30337
58 5VJN IR8 7.48663
59 4Z7X 3CX 7.56302
60 5E5U 1PS 7.57576
61 5W75 SUC 8.41837
62 1GU3 BGC BGC BGC BGC BGC 8.72483
63 1FDJ 13P 8.81543
64 4EWN 0VR 9.48617
65 3M94 M7M 10.0529
66 1NVM OXL 10.4348
67 1C1L GAL BGC 11.6788
68 3WUD GLC GAL 11.7647
69 2BOS GLA GAL GLC 11.7647
70 6FBZ MGP 12.5
71 1UJP CIT 14.0221
72 5TPU TYD 16.5468
73 5AHW CMP 17.6871
74 1A78 TDG 26.1194
75 5ABU GTG 28.5714
76 1O9U ADZ 44.4444
APoc FAQ
Feedback