Receptor
PDB id Resolution Class Description Source Keywords
5CG1 2.07 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF E. COLI FABI BOUND TO THE CARBAMOYLATED BENZODIAZABORINE INHIBITOR 14B. ESCHERICHIA COLI (STRAIN K12) ANTIBIOTICS NAD ENOYL-ACP REDUCTASE OXIDOREDUCATASE- OXIDOREDUCATASE INHIBITOR COMPLEX OXIDOREDUCTASE-OXIDOREDUINHIBITOR COMPLEX
Ref.: CRYSTALLOGRAPHIC INSIGHTS INTO THE STRUCTURE-ACTIVI RELATIONSHIPS OF DIAZABORINE ENOYL-ACP REDUCTASE IN ACTA CRYSTALLOGR.,SECT.F V. 71 1521 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD BBN B:500;
A:500;
 Valid;
Valid;
 none;
none;
 submit data
850.396 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CG1 2.07 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF E. COLI FABI BOUND TO THE CARBAMOYLATED BENZODIAZABORINE INHIBITOR 14B. ESCHERICHIA COLI (STRAIN K12) ANTIBIOTICS NAD ENOYL-ACP REDUCTASE OXIDOREDUCATASE- OXIDOREDUCATASE INHIBITOR COMPLEX OXIDOREDUCTASE-OXIDOREDUINHIBITOR COMPLEX
Ref.: CRYSTALLOGRAPHIC INSIGHTS INTO THE STRUCTURE-ACTIVI RELATIONSHIPS OF DIAZABORINE ENOYL-ACP REDUCTASE IN ACTA CRYSTALLOGR.,SECT.F V. 71 1521 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5CG1 - NAD BBN n/a n/a
2 5CG2 - NAD CJ3 n/a n/a
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
19 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
20 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
21 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
22 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
23 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
24 5CG1 - NAD BBN n/a n/a
25 5CG2 - NAD CJ3 n/a n/a
50% Homology Family (151)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 6SQB - LSQ C9 H9 Cl O2 c1cc(cc(c1....
19 6SQ5 ic50 > 1000 uM LRW C10 H7 F3 O2 c1cc(cc(c1....
20 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
22 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
24 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
25 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
26 2AQH Kd = 14.9 uM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
27 6EP8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
29 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
30 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
31 5OIC ic50 < 1 mM 9VQ C11 H12 N2 O c1cnn(c1)C....
32 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
34 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
35 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
36 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 5OIM ic50 = 790 uM 9VZ C11 H15 N O2 S CCOC(=O)[C....
38 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
39 6SQD - LT8 C10 H8 N2 O2 c1ccc(c(c1....
40 6SQ9 - BZJ C11 H8 O3 c1ccc2cc(c....
41 4DQU - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
42 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
43 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
44 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
45 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
46 6SQL ic50 = 310 nM LTK C16 H15 Cl N2 O2 S2 Cc1c2cc(cc....
47 2AQ8 Kd = 2.5 uM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
48 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
49 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
50 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
51 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
52 5OIR Kd = 6.3 uM 9W8 C16 H20 N4 O CC1=CC(=O)....
53 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
54 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
55 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
56 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
57 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
58 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
59 5VRM - 9JJ C35 H37 B F3 N7 O17 P2 B1(c2cc(cc....
60 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
61 5OIS ic50 = 500 nM 9WK C19 H18 Cl F N4 O Cc1cc(n(n1....
62 6SQ7 - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
63 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
64 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
65 5OIP ic50 = 79 uM 9WE C16 H20 N6 O c1cc(cnc1)....
66 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
67 4DTI - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
68 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
69 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 2AQI Kd = 32 uM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
71 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
72 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
73 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
74 4DRE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
75 4TRO Ki = 0.75 nM NAD ZID n/a n/a
76 2AQK Kd = 23 uM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
77 5OIF ic50 = 500 uM 9W5 C11 H13 N3 Cc1cc(n(n1....
78 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
79 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
80 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
81 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
82 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
83 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
84 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
85 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
86 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
87 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
88 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
89 6R9W ic50 = 0.22 uM JVZ C19 H20 N2 O2 c1ccc2c(c1....
90 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
91 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
92 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
93 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
94 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
95 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
96 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
97 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
98 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
99 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
100 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
101 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
102 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
103 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
104 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
105 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
106 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
107 6TBB - KAL C30 H48 N2 O7 C[C@@H](C/....
108 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
109 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
110 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
111 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
112 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
113 1CWU - NAD TDB n/a n/a
114 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
116 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
117 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
118 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
119 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
120 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
121 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
122 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
123 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
124 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
125 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
126 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
127 1VRW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
128 1UH5 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
129 3AM3 Ki = 28 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
130 3LT1 Ki = 0.32 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
131 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
132 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
133 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
134 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
135 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
136 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 5CG1 - NAD BBN n/a n/a
139 5CG2 - NAD CJ3 n/a n/a
140 5OVL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
141 5YCS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
142 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
143 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
144 5YCR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
145 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
146 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
147 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
148 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
149 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
150 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
151 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAD BBN; Similar ligands found: 116
No: Ligand ECFP6 Tc MDL keys Tc
1 NAD BBN 1 1
2 NAD CJ3 0.909091 0.941176
3 NAD NDT 0.787671 0.822917
4 NAD IBO 0.661654 0.864198
5 NAD TDB 0.661654 0.864198
6 NAD 0.609929 0.876543
7 AMP NAD 0.576389 0.853659
8 A3D 0.536913 0.865854
9 NAP 0.525974 0.865854
10 N01 0.523179 0.853659
11 9JJ 0.517647 0.882353
12 NHD 0.513333 0.853659
13 NAJ 0.510067 0.853659
14 CNA 0.510067 0.878049
15 DND 0.5 0.878049
16 NAQ 0.5 0.847059
17 ADP PO3 0.48855 0.839506
18 ATP MG 0.48855 0.839506
19 NFD 0.487013 0.835294
20 BEF ADP 0.484848 0.841463
21 ADP BEF 0.48062 0.839506
22 ADP MG 0.48062 0.839506
23 ZID 0.477987 0.888889
24 VO4 ADP 0.474074 0.843373
25 ALF ADP 0.474074 0.823529
26 AR6 AR6 0.472603 0.841463
27 TAP 0.465839 0.813953
28 NA0 0.462963 0.855422
29 ADP BMA 0.460993 0.843373
30 NDE 0.460606 0.878049
31 GAP 0.459259 0.821429
32 ALF ADP 3PG 0.456954 0.816092
33 AHZ 0.456376 0.777778
34 NAE 0.45625 0.86747
35 ATP A 0.455172 0.851852
36 ATP A A A 0.455172 0.851852
37 ANP MG 0.452555 0.876543
38 MYR AMP 0.451389 0.758242
39 NAJ PZO 0.446541 0.847059
40 NDC 0.446429 0.847059
41 NDO 0.444444 0.843373
42 OOB 0.439716 0.853659
43 AMP DBH 0.439189 0.843373
44 AF3 ADP 3PG 0.437909 0.816092
45 AN2 0.43609 0.853659
46 8LE 0.434783 0.802326
47 AMP MG 0.434109 0.82716
48 DAL AMP 0.432624 0.831325
49 OAD 0.430556 0.843373
50 ADP 0.428571 0.841463
51 NMN AMP PO4 0.427673 0.823529
52 4TA 0.427673 0.788889
53 WAQ 0.427586 0.793103
54 A2D 0.427481 0.864198
55 45A 0.427481 0.797619
56 ABM 0.427481 0.797619
57 NAJ PYZ 0.426829 0.808989
58 LPA AMP 0.424837 0.758242
59 1ZZ 0.424658 0.758242
60 DLL 0.423611 0.853659
61 8LQ 0.422535 0.811765
62 M33 0.422222 0.831325
63 CA0 0.422222 0.843373
64 BA3 0.421053 0.864198
65 DQV 0.421053 0.876543
66 9X8 0.42069 0.802326
67 KG4 0.419118 0.843373
68 50T 0.419118 0.831325
69 SRP 0.41844 0.811765
70 B4P 0.41791 0.864198
71 AP5 0.41791 0.864198
72 B5V 0.417808 0.855422
73 DZD 0.416149 0.816092
74 A 0.415385 0.817073
75 AMP 0.415385 0.817073
76 3OD 0.414966 0.843373
77 AT4 0.414815 0.811765
78 00A 0.413793 0.813953
79 AHX 0.413793 0.825581
80 APC MG 0.413043 0.819277
81 AGS 0.413043 0.802326
82 NAI 0.412903 0.835294
83 QA7 0.412587 0.802326
84 ADX 0.411765 0.766667
85 3UK 0.410959 0.865854
86 4UV 0.410596 0.823529
87 OMR 0.410256 0.769231
88 9SN 0.409396 0.825581
89 ATP 0.408759 0.841463
90 ACP 0.408759 0.821429
91 HEJ 0.408759 0.841463
92 T99 0.407143 0.811765
93 TAT 0.407143 0.811765
94 FA5 0.406667 0.833333
95 B5M 0.406667 0.845238
96 AQP 0.405797 0.841463
97 5FA 0.405797 0.841463
98 AR6 0.405797 0.841463
99 APR 0.405797 0.841463
100 FYA 0.405405 0.809524
101 ARG AMP 0.405229 0.788889
102 Z5A 0.404762 0.842697
103 SON 0.404412 0.811765
104 5AL 0.404255 0.831325
105 NAX 0.403846 0.806818
106 AD9 0.402878 0.843373
107 A22 0.402778 0.853659
108 NBP 0.402367 0.837209
109 AU1 0.40146 0.865854
110 PO4 PO4 A A A A PO4 0.401361 0.82716
111 TXE 0.401274 0.835294
112 9ZD 0.4 0.813953
113 9ZA 0.4 0.813953
114 AP2 0.4 0.811765
115 A12 0.4 0.811765
116 LAQ 0.4 0.758242
Similar Ligands (3D)
Ligand no: 1; Ligand: NAD BBN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CG1; Ligand: NAD BBN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5cg1.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CG1; Ligand: NAD BBN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5cg1.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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