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Receptor
PDB id Resolution Class Description Source Keywords
1RX0 1.77 Å EC: 1.3.99.- CRYSTAL STRUCTURE OF ISOBUTYRYL-COA DEHYDROGENASE COMPLEXED SUBSTRATE/LIGAND. HOMO SAPIENS FLAVOPROTEIN DEHYDROGENASE COENZYME A OXIDOREDUCTASE
Ref.: STRUCTURES OF ISOBUTYRYL-COA DEHYDROGENASE AND ENZYME-PRODUCT COMPLEX: COMPARISON WITH ISOVALERYL-SHORT-CHAIN ACYL-COA DEHYDROGENASES. J.BIOL.CHEM. V. 279 16526 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2MC C:400;
D:400;
Valid;
Valid;
none;
none;
submit data
835.608 C25 H40 N7 O17 P3 S CC(=C...
ACY A:9005;
B:9001;
B:9006;
C:9004;
D:9002;
D:9003;
D:9007;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
EDO A:2001;
A:2011;
B:2003;
B:2004;
B:2006;
B:2007;
C:2002;
C:2005;
C:2008;
D:2009;
D:2010;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FAD A:399;
B:399;
C:399;
D:399;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RX0 1.77 Å EC: 1.3.99.- CRYSTAL STRUCTURE OF ISOBUTYRYL-COA DEHYDROGENASE COMPLEXED SUBSTRATE/LIGAND. HOMO SAPIENS FLAVOPROTEIN DEHYDROGENASE COENZYME A OXIDOREDUCTASE
Ref.: STRUCTURES OF ISOBUTYRYL-COA DEHYDROGENASE AND ENZYME-PRODUCT COMPLEX: COMPARISON WITH ISOVALERYL-SHORT-CHAIN ACYL-COA DEHYDROGENASES. J.BIOL.CHEM. V. 279 16526 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1RX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1RX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UDY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3MDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3MDD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4L1F - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2R0N - TGC C25 H40 N7 O19 P3 S2 CC(C)(CO[P....
6 1SIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5AHS - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 5AF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1EGD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3PFD - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
11 3GQT - UFO C11 H17 N3 CN1CCN(c2c....
12 3GNC - QQQ C10 H12 N2 O3 S CC(C)n1c2c....
13 1JQI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1BUC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 6AF6 - PRO GLY n/a n/a
16 5ZW2 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
17 5ZW7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
18 5ZW8 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 1UKW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
20 3MPJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
21 3MPI - GRA C26 H42 N7 O19 P3 S CC(C)(CO[P....
22 1RX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2MC; Similar ligands found: 165
No: Ligand ECFP6 Tc MDL keys Tc
1 2MC 1 1
2 ACO 0.893443 0.945652
3 OXK 0.887097 0.934783
4 3KK 0.879032 0.956044
5 CAO 0.861789 0.904255
6 COS 0.861789 0.913979
7 BCO 0.851562 0.934783
8 MLC 0.851562 0.934783
9 CO6 0.850394 0.956044
10 1VU 0.850394 0.945652
11 CAA 0.844961 0.945055
12 SOP 0.84252 0.934783
13 MC4 0.838462 0.967742
14 1HE 0.837209 0.914894
15 3HC 0.837209 0.945055
16 IVC 0.837209 0.945055
17 FYN 0.834646 0.934066
18 MCA 0.830769 0.945652
19 COO 0.830769 0.956044
20 COK 0.828125 0.913979
21 SCA 0.824427 0.934783
22 0T1 0.822581 0.913043
23 COA 0.822581 0.934066
24 CMC 0.821705 0.913979
25 DCA 0.821138 0.913043
26 1GZ 0.818182 0.945652
27 COW 0.818182 0.924731
28 BYC 0.818182 0.934783
29 HGG 0.818182 0.934783
30 IRC 0.818182 0.945055
31 30N 0.81746 0.858586
32 FAQ 0.81203 0.934783
33 BCA 0.81203 0.924731
34 A1S 0.80916 0.913979
35 ETB 0.806452 0.88172
36 HXC 0.80597 0.935484
37 GRA 0.80597 0.934783
38 AMX 0.80315 0.923077
39 TGC 0.8 0.924731
40 2CP 0.796992 0.924731
41 CMX 0.796875 0.913043
42 SCO 0.796875 0.913043
43 CO8 0.794118 0.935484
44 1CZ 0.794118 0.924731
45 2NE 0.794118 0.914894
46 2KQ 0.791045 0.935484
47 3CP 0.791045 0.913979
48 COF 0.791045 0.894737
49 FAM 0.790698 0.893617
50 FCX 0.790698 0.884211
51 CS8 0.789855 0.925532
52 ST9 0.788321 0.935484
53 UCC 0.788321 0.935484
54 DCC 0.788321 0.935484
55 MYA 0.788321 0.935484
56 5F9 0.788321 0.935484
57 MFK 0.788321 0.935484
58 4CA 0.785185 0.904255
59 HAX 0.784615 0.893617
60 WCA 0.776978 0.935484
61 SCD 0.774436 0.913043
62 CA6 0.772727 0.851485
63 MCD 0.772727 0.913979
64 4KX 0.771429 0.967391
65 HDC 0.771429 0.935484
66 CIC 0.768116 0.913979
67 NMX 0.766917 0.848485
68 MRR 0.765957 0.935484
69 MRS 0.765957 0.935484
70 4CO 0.76259 0.904255
71 0FQ 0.76259 0.913979
72 CAJ 0.761194 0.913979
73 YNC 0.760563 0.945652
74 DAK 0.760563 0.925532
75 NHW 0.758865 0.914894
76 NHM 0.758865 0.914894
77 UOQ 0.758865 0.914894
78 0ET 0.757143 0.914894
79 01A 0.757143 0.876289
80 8Z2 0.755245 0.946237
81 1CV 0.751773 0.934783
82 YE1 0.75 0.903226
83 HFQ 0.741259 0.894737
84 CA8 0.73913 0.851485
85 F8G 0.736486 0.957447
86 1HA 0.734694 0.914894
87 7L1 0.729323 0.945652
88 NHQ 0.721088 0.923913
89 S0N 0.71831 0.893617
90 CCQ 0.71831 0.915789
91 01K 0.718121 0.934783
92 CA3 0.703947 0.913979
93 COT 0.701987 0.913979
94 CO7 0.687943 0.956044
95 UCA 0.687898 0.935484
96 COD 0.679389 0.923077
97 93P 0.677215 0.904255
98 CA5 0.670886 0.876289
99 93M 0.646341 0.904255
100 4BN 0.637427 0.957447
101 5TW 0.637427 0.957447
102 OXT 0.616279 0.896907
103 HMG 0.615894 0.903226
104 JBT 0.610169 0.878788
105 COA PLM 0.597403 0.904255
106 PLM COA 0.597403 0.904255
107 BSJ 0.577143 0.885417
108 PAP 0.553719 0.758242
109 ASP ASP ASP ILE CMC NH2 0.541176 0.873684
110 191 0.515924 0.888889
111 PPS 0.515873 0.707071
112 SFC 0.515152 0.935484
113 RFC 0.515152 0.935484
114 A3P 0.504132 0.747253
115 ACE SER ASP ALY THR NH2 COA 0.497297 0.893617
116 0WD 0.486486 0.795699
117 PTJ 0.456522 0.815217
118 3OD 0.446043 0.771739
119 A22 0.444444 0.76087
120 3AM 0.442623 0.736264
121 A2D 0.44 0.75
122 PAJ 0.437956 0.826087
123 AGS 0.435115 0.774194
124 SAP 0.435115 0.774194
125 PUA 0.433121 0.787234
126 OAD 0.431655 0.771739
127 ADP 0.429688 0.769231
128 ATR 0.424242 0.747253
129 BA3 0.421875 0.75
130 9X8 0.421429 0.774194
131 HEJ 0.419847 0.769231
132 ATP 0.419847 0.769231
133 B4P 0.418605 0.75
134 AP5 0.418605 0.75
135 ADQ 0.417266 0.752688
136 APR 0.416667 0.75
137 5FA 0.416667 0.769231
138 AQP 0.416667 0.769231
139 AR6 0.416667 0.75
140 48N 0.416107 0.776596
141 A2R 0.416058 0.76087
142 AN2 0.415385 0.76087
143 M33 0.412214 0.76087
144 NA7 0.411348 0.802198
145 SRP 0.408759 0.782609
146 YLB 0.407895 0.849462
147 ANP 0.407407 0.752688
148 YLP 0.406667 0.849462
149 2A5 0.406015 0.791209
150 TXA 0.405594 0.763441
151 ME8 0.405594 0.789474
152 FYA 0.405594 0.76087
153 AT4 0.40458 0.782609
154 5AL 0.404412 0.76087
155 F2R 0.403846 0.810526
156 NJP 0.403846 0.755319
157 AD9 0.402985 0.752688
158 25L 0.402778 0.76087
159 CA0 0.401515 0.752688
160 ATF 0.40146 0.744681
161 9ZA 0.4 0.765957
162 9ZD 0.4 0.765957
163 OOB 0.4 0.741935
164 8QN 0.4 0.76087
165 LAQ 0.4 0.789474
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RX0; Ligand: FAD; Similar sites found with APoc: 62
This union binding pocket(no: 1) in the query (biounit: 1rx0.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 2Y7P SAL 1.83486
2 5J47 6JJ 1.88172
3 3ISN EDM 2.03562
4 1YOE RIB 2.17391
5 1EQ2 ADQ 2.25806
6 5MB4 NAG 2.29008
7 5MB4 NDG 2.29008
8 5G6U TRP 2.29885
9 1FDJ 13P 2.47934
10 5XJ7 87O 2.48756
11 4DDY DN6 2.6616
12 5OES 3GC 2.79898
13 5A96 GTP 2.81124
14 2WPW ACO 2.94985
15 5N9X THR 3.05344
16 4UP4 GAL NAG 3.05344
17 4UP4 NDG 3.05344
18 3IB1 IMN 3.47826
19 2AWN ADP 3.56234
20 5EO8 TFU 3.85852
21 4BI7 PGA 3.89105
22 1SWG BTN 3.90625
23 4YMZ 13P 3.98406
24 2D4V FLC 4.07125
25 3P7G MAN 4.10959
26 2RIF AMP 4.25532
27 4YKI GLY 4.29688
28 3ITJ CIT 4.43787
29 1NSA BEN 4.58015
30 1POT SPD 4.61538
31 1KGZ PRP 4.92754
32 4GKY MAN 4.98084
33 1ONI BEZ 5.07246
34 1M0W 3GC 5.08906
35 1V2A GTS 5.2381
36 5NBW 8SK 5.40541
37 1U8V FAD 5.59796
38 4RF7 ARG 5.85242
39 3CEV ARG 6.02007
40 5YRF GLC GLC 8.4507
41 5CPR 539 8.58209
42 1TVP CBI 9.21502
43 4YEF 4CQ 10.1124
44 4PPF FLC 12.2857
45 1ZEI CRS 16.9811
46 3MKH FAD 28.7532
47 2DDH HXD 30.0254
48 2DDH FAD 30.0254
49 3DJL FAD 30.5344
50 5YS9 FAD 31.2977
51 4Y9J FAD 31.5522
52 4Y9J UCC 31.5522
53 3X0Y FMN 31.5522
54 5MR6 FAD 32.57
55 5Y9D FAD 33.8422
56 2C0U FAD NBT 36.1323
57 3D9F FAD 37.4046
58 3D9F N6C 37.4046
59 4X28 FDA 37.659
60 4KCF FMN 39.1857
61 1R2J FAD 42.3497
62 6ES9 FAD 49.6183
Pocket No.: 2; Query (leader) PDB : 1RX0; Ligand: 2MC; Similar sites found with APoc: 110
This union binding pocket(no: 2) in the query (biounit: 1rx0.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 6CS9 PIO None
3 2GWH PCI 1.34228
4 5IUY BOG 1.52672
5 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.70068
6 4IA6 EIC 1.78117
7 3X01 AMP 1.78117
8 3SQP 3J8 1.88285
9 3B99 U51 2.03562
10 1KKR 2AS 2.29008
11 5G6U TRP 2.29885
12 1Z42 FMN 2.36686
13 4F06 PHB 2.42588
14 5XJ7 87O 2.48756
15 5IM3 DTP 2.54453
16 5MUL BDP 2.5522
17 3G58 988 2.62467
18 4OB6 S2T 2.79898
19 3NB0 G6P 2.79898
20 4MRP GSH 2.79898
21 5A96 GTP 2.81124
22 5UGW GSH 2.85714
23 2O3Z AI7 2.95203
24 3OKI OKI 3.00429
25 1YC4 43P 3.0303
26 1TV5 N8E 3.05344
27 1M2Z BOG 3.11284
28 4V3I ASP LEU THR ARG PRO 3.11284
29 6BR8 6OU 3.1746
30 2GBB CIT 3.20513
31 3KP6 SAL 3.31126
32 6CB2 OLC 3.41297
33 5V3Y 5V8 3.4965
34 1SBR VIB 3.5
35 3TDC 0EU 3.56234
36 5OLK DTP 3.56234
37 1I0B PEL 3.61446
38 3TL1 JRO 3.77358
39 5CX6 CDP 3.81679
40 2RH1 CLR 4.07125
41 4OAS 2SW 4.16667
42 1U72 NDP 4.30108
43 1U72 MTX 4.30108
44 4I90 CHT 4.62046
45 5U97 PIT 4.83461
46 1ZPD CIT 4.83461
47 5D4V YGP 4.85075
48 2GJ5 VD3 4.93827
49 4OGQ 7PH 5
50 5AZC PGT 5
51 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 5.21739
52 4YDU ADP 5.53936
53 1DTL BEP 5.59006
54 1O9W NAG 5.64972
55 2BCG GER 5.82524
56 4LWU 20U 5.88235
57 3CHT 4NB 5.95238
58 2PX6 DH9 6.01266
59 2Q4X HMH 6.33484
60 2F2G HMH 6.33484
61 1R6N 434 6.63507
62 1HBK MYR 6.74157
63 5M37 9SZ 6.95652
64 1XVB 3BR 7.05882
65 6G47 SIA SIA 7.17703
66 4ZGM 32M 7.37705
67 1XZ3 ICF 7.47126
68 5LWY OLB 7.87671
69 4MGA 27L 8.23529
70 4TV1 36M 8.36653
71 1XQP 8HG 8.59375
72 4YSX E23 8.97436
73 4JZX 476 9.11602
74 6DIO CIT 9.16031
75 1NF8 BOG 9.17874
76 4F4S EFO 9.21053
77 5OCA 9QZ 9.2437
78 5V4R MGT 9.25926
79 2ALG DAO 9.78261
80 3KO0 TFP 9.90099
81 3FAL REA 9.91736
82 3RWP ABQ 9.96785
83 2WCU FUC 10.0671
84 6BJO DUY 10.4
85 5M36 9SZ 10.5263
86 5TVI MYR 10.8696
87 2VWA PTY 10.8911
88 3O01 DXC 11.039
89 5C9J DAO 11.1111
90 5LX9 OLB 11.2676
91 5W7B MYR 12.0567
92 1NU4 MLA 13.4021
93 6BVK EAV 14.3713
94 6BVM EBV 14.3713
95 6BVI EC4 14.3713
96 6BVL EBY 14.3713
97 2CB8 MYA 16.092
98 1ZEI CRS 16.9811
99 2WOR 2AN 17
100 2XN3 ID8 17.5
101 5CHR 4NC 17.5182
102 2Y69 CHD 18.9189
103 5W97 CHD 19.1781
104 5Z84 CHD 19.1781
105 5ZCO CHD 19.1781
106 2XN5 FUN 20
107 1LNX URI 24.6914
108 4Y9J UCC 31.5522
109 4Y9J FAD 31.5522
110 1R2J FAD 42.3497
Pocket No.: 3; Query (leader) PDB : 1RX0; Ligand: 2MC; Similar sites found with APoc: 5
This union binding pocket(no: 3) in the query (biounit: 1rx0.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5UI2 SUC 1.26183
2 4FFG LBS 4.83461
3 3AI3 SOL 5.32319
4 2QLX RM4 8.33333
5 5Y9D FAD 33.8422
Pocket No.: 4; Query (leader) PDB : 1RX0; Ligand: FAD; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 1rx0.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 3WCS MAN NAG 1.9685
3 3WCS MAN NAG GAL 1.9685
4 6MFL OPV 2.27273
5 3TTC ADP 2.29008
6 1PVS 7HP 2.48227
7 1PU7 39A 2.75229
8 4TQK NAG 2.79898
9 4UP4 NAG 3.05344
10 5X80 SAL 3.125
11 5LJW ANP 3.17003
12 1W31 SHO 3.21637
13 3GUZ PAF 3.40909
14 3HQ9 OXL 3.76812
15 4GA6 AMP 3.81679
16 6H8S FSZ 3.98671
17 4UZI IMD 4.3257
18 2UVO NAG 4.67836
19 4PEG 5GP 4.72222
20 2VGD XYP XYP 5.9633
21 5YRL GLC GLC 8.4507
22 6DIO CIT 9.16031
23 4G86 BNT 9.85915
24 3KO0 TFP 9.90099
25 1RL4 BL5 13.2979
26 4USI AKG 15.5844
Pocket No.: 5; Query (leader) PDB : 1RX0; Ligand: FAD; Similar sites found with APoc: 10
This union binding pocket(no: 5) in the query (biounit: 1rx0.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 4GYS MLI 2.03562
2 1ICV NIO 2.30415
3 1RQL VSO 2.62172
4 1LK7 DER 3.05677
5 6CB2 OLC 3.41297
6 6APL C5P 4.27807
7 2CZL TLA 5.88235
8 4DYG MES 6.14754
9 4GN8 ASO 11.0368
10 1TUK PGM 11.9403
Pocket No.: 6; Query (leader) PDB : 1RX0; Ligand: FAD; Similar sites found with APoc: 2
This union binding pocket(no: 6) in the query (biounit: 1rx0.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2DUR MAN MAN 1.58103
2 5OSW DIU 3.30789
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