Receptor
PDB id Resolution Class Description Source Keywords
4I8X 2.23 Å EC: 1.1.1.27 CRYSTAL STRUCTURE OF RABBIT LDHA IN COMPLEX WITH AP27460 ORYCTOLAGUS CUNICULUS FRAGMENT INHIBITOR OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR
Ref.: FRAGMENT GROWING AND LINKING LEAD TO NOVEL NANOMOLA DEHYDROGENASE INHIBITORS. J.MED.CHEM. V. 56 1023 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6P3 D:401;
C:401;
F:401;
A:401;
E:401;
B:401;
G:401;
H:401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 2300 uM
199.205 C12 H9 N O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZVV 2.2 Å EC: 1.1.1.27 LACTATE DEHYDROGENASE A IN COMPLEX WITH A TRISUBSTITUTED PIP 4-DIONE INHIBITOR GNE-140 HOMO SAPIENS OXIDOREDUCTASE INHIBITOR COMPLEX LDHA-G02792140 OXIDOREDUCOXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: METABOLIC PLASTICITY UNDERPINS INNATE AND ACQUIRED RESISTANCE TO LDHA INHIBITION. NAT.CHEM.BIOL. V. 12 779 2016
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4QO7 Kd = 3.5 uM 36V C18 H15 N O4 S c1ccc(cc1)....
2 4AJE Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
3 4I9H Kd = 0.068 uM 1E4 C33 H31 Cl F N3 O12 S COc1cc(c(c....
4 5KKC - 6V0 C21 H29 N7 O14 P2 c1nc(c2c(n....
5 4AJP Kd = 0.093 uM 0SN C25 H27 N3 O6 S Cc1nc2ccc(....
6 4R68 ic50 = 6 nM W31 C28 H23 Cl3 O4 S C[C@@H](c1....
7 4ZVV ic50 = 0.003 uM GN0 C25 H23 Cl N2 O3 S2 c1ccc(c(c1....
8 4AJH Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
9 4RLS ic50 = 0.36 uM 49C C19 H15 Cl O3 S c1ccc2c(c1....
10 4QO8 Kd = 1.8 uM 36U C18 H13 Cl3 O2 S c1ccc(c(c1....
11 4AJ4 Kd = 130 uM VAB C14 H14 N2 O3 S2 C=CCSc1nc2....
12 4I8X Kd = 2300 uM 6P3 C12 H9 N O2 c1ccc(cc1)....
13 4AJN Kd = 0.069 uM 88V C24 H26 N4 O6 S Cc1nc2ccc(....
14 4M49 Kd = 5 uM 22Y C19 H17 Cl N4 O2 C[C@H](c1c....
15 1I10 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
16 4I9N Kd = 360 uM 1E6 C18 H19 Cl N2 O7 S COc1cc(c(c....
17 4AJK Kd = 770 uM 88S C12 H14 N4 O2 S Cc1nc2ccc(....
18 5ES3 - OXM C2 H3 N O3 C(=O)(C(=O....
19 4AJ2 - MLI C3 H2 O4 C(C(=O)[O-....
20 4AJJ Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
21 4AL4 Kd = 0.13 uM W7E C24 H26 N4 O7 S Cc1nc2ccc(....
22 5IXS ic50 = 0.042 uM 6EY C21 H16 Cl N O3 S2 c1ccc(c(c1....
23 4AJI Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
24 3H3F - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
25 4AJO Kd = 0.093 uM 88N C25 H27 N3 O6 S Cc1nc2ccc(....
26 4JNK Kd = 5.1 uM ZHK C20 H15 Cl2 N5 O4 S2 C[C@H](C(=....
27 4AJL Kd = 160 uM 88W C14 H18 N4 O2 S CCNC(=O)NC....
28 5NQB Ki = 27 mM MLI C3 H2 O4 C(C(=O)[O-....
29 5NQQ Ki = 2.3 mM OAA C4 H3 O5 C(C(=O)C(=....
30 4I9U Kd = 137 uM 1E7 C15 H13 Cl N2 O4 S COc1ccc(cc....
31 4AJ1 Kd = 770 uM AJ1 C10 H11 N3 O S CC(=O)Nc1c....
70% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1V6A - TRE C12 H22 O11 C([C@@H]1[....
2 1I0Z - OXM C2 H3 N O3 C(=O)(C(=O....
3 4QO7 Kd = 3.5 uM 36V C18 H15 N O4 S c1ccc(cc1)....
4 4AJE Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
5 4I9H Kd = 0.068 uM 1E4 C33 H31 Cl F N3 O12 S COc1cc(c(c....
6 5KKC - 6V0 C21 H29 N7 O14 P2 c1nc(c2c(n....
7 4AJP Kd = 0.093 uM 0SN C25 H27 N3 O6 S Cc1nc2ccc(....
8 4R68 ic50 = 6 nM W31 C28 H23 Cl3 O4 S C[C@@H](c1....
9 4ZVV ic50 = 0.003 uM GN0 C25 H23 Cl N2 O3 S2 c1ccc(c(c1....
10 4AJH Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
11 4RLS ic50 = 0.36 uM 49C C19 H15 Cl O3 S c1ccc2c(c1....
12 4QO8 Kd = 1.8 uM 36U C18 H13 Cl3 O2 S c1ccc(c(c1....
13 4AJ4 Kd = 130 uM VAB C14 H14 N2 O3 S2 C=CCSc1nc2....
14 4I8X Kd = 2300 uM 6P3 C12 H9 N O2 c1ccc(cc1)....
15 4AJN Kd = 0.069 uM 88V C24 H26 N4 O6 S Cc1nc2ccc(....
16 4M49 Kd = 5 uM 22Y C19 H17 Cl N4 O2 C[C@H](c1c....
17 1I10 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
18 4I9N Kd = 360 uM 1E6 C18 H19 Cl N2 O7 S COc1cc(c(c....
19 4AJK Kd = 770 uM 88S C12 H14 N4 O2 S Cc1nc2ccc(....
20 5ES3 - OXM C2 H3 N O3 C(=O)(C(=O....
21 4AJ2 - MLI C3 H2 O4 C(C(=O)[O-....
22 4AJJ Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
23 4AL4 Kd = 0.13 uM W7E C24 H26 N4 O7 S Cc1nc2ccc(....
24 5IXS ic50 = 0.042 uM 6EY C21 H16 Cl N O3 S2 c1ccc(c(c1....
25 4AJI Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
26 3H3F - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
27 4AJO Kd = 0.093 uM 88N C25 H27 N3 O6 S Cc1nc2ccc(....
28 4JNK Kd = 5.1 uM ZHK C20 H15 Cl2 N5 O4 S2 C[C@H](C(=....
29 4AJL Kd = 160 uM 88W C14 H18 N4 O2 S CCNC(=O)NC....
30 5NQB Ki = 27 mM MLI C3 H2 O4 C(C(=O)[O-....
31 5NQQ Ki = 2.3 mM OAA C4 H3 O5 C(C(=O)C(=....
32 4I9U Kd = 137 uM 1E7 C15 H13 Cl N2 O4 S COc1ccc(cc....
33 4AJ1 Kd = 770 uM AJ1 C10 H11 N3 O S CC(=O)Nc1c....
34 1LDM - OXM C2 H3 N O3 C(=O)(C(=O....
50% Homology Family (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 4PLT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 4PLY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4PLW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 4PLV - 2OP C3 H6 O3 C[C@@H](C(....
5 4PLH - OXM C2 H3 N O3 C(=O)(C(=O....
6 2V7P - OXM C2 H3 N O3 C(=O)(C(=O....
7 3VPH - FBP C6 H14 O12 P2 C([C@@H]1[....
8 1V6A - TRE C12 H22 O11 C([C@@H]1[....
9 1I0Z - OXM C2 H3 N O3 C(=O)(C(=O....
10 1T24 ic50 = 0.65 uM OXQ C3 H2 N2 O4 c1(c(non1)....
11 1U5A - BIK C11 H8 O4 c1cc(cc2c1....
12 1CET Ki = 1.3 mM CLQ C18 H26 Cl N3 CCN(CC)CCC....
13 1U4S - BIH C10 H8 O6 S2 c1cc(cc2c1....
14 4PLZ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
15 1T2D - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1T25 ic50 = 1.1 uM GAG C4 H3 N O4 c1c(c(no1)....
17 1T26 ic50 = 0.14 uM GBD C3 H2 N2 O3 S c1(c(nsn1)....
18 2A94 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
19 1LDG - OXM C2 H3 N O3 C(=O)(C(=O....
20 1T2C - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
21 1U4O - NDD C12 H8 O4 c1cc(cc2c1....
22 1XIV - RB2 C10 H20 Cl N O5 COC(C1CC(C....
23 1T2E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
24 1OC4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1A5Z - FBP C6 H14 O12 P2 C([C@@H]1[....
26 1HYE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 4QO7 Kd = 3.5 uM 36V C18 H15 N O4 S c1ccc(cc1)....
28 4AJE Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
29 4I9H Kd = 0.068 uM 1E4 C33 H31 Cl F N3 O12 S COc1cc(c(c....
30 5KKC - 6V0 C21 H29 N7 O14 P2 c1nc(c2c(n....
31 4AJP Kd = 0.093 uM 0SN C25 H27 N3 O6 S Cc1nc2ccc(....
32 4R68 ic50 = 6 nM W31 C28 H23 Cl3 O4 S C[C@@H](c1....
33 4ZVV ic50 = 0.003 uM GN0 C25 H23 Cl N2 O3 S2 c1ccc(c(c1....
34 4AJH Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
35 4RLS ic50 = 0.36 uM 49C C19 H15 Cl O3 S c1ccc2c(c1....
36 4QO8 Kd = 1.8 uM 36U C18 H13 Cl3 O2 S c1ccc(c(c1....
37 4AJ4 Kd = 130 uM VAB C14 H14 N2 O3 S2 C=CCSc1nc2....
38 4I8X Kd = 2300 uM 6P3 C12 H9 N O2 c1ccc(cc1)....
39 4AJN Kd = 0.069 uM 88V C24 H26 N4 O6 S Cc1nc2ccc(....
40 4M49 Kd = 5 uM 22Y C19 H17 Cl N4 O2 C[C@H](c1c....
41 1I10 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
42 4I9N Kd = 360 uM 1E6 C18 H19 Cl N2 O7 S COc1cc(c(c....
43 4AJK Kd = 770 uM 88S C12 H14 N4 O2 S Cc1nc2ccc(....
44 5ES3 - OXM C2 H3 N O3 C(=O)(C(=O....
45 4AJ2 - MLI C3 H2 O4 C(C(=O)[O-....
46 4AJJ Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
47 4AL4 Kd = 0.13 uM W7E C24 H26 N4 O7 S Cc1nc2ccc(....
48 5IXS ic50 = 0.042 uM 6EY C21 H16 Cl N O3 S2 c1ccc(c(c1....
49 4AJI Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
50 3H3F - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 4AJO Kd = 0.093 uM 88N C25 H27 N3 O6 S Cc1nc2ccc(....
52 4JNK Kd = 5.1 uM ZHK C20 H15 Cl2 N5 O4 S2 C[C@H](C(=....
53 4AJL Kd = 160 uM 88W C14 H18 N4 O2 S CCNC(=O)NC....
54 5NQB Ki = 27 mM MLI C3 H2 O4 C(C(=O)[O-....
55 5NQQ Ki = 2.3 mM OAA C4 H3 O5 C(C(=O)C(=....
56 4I9U Kd = 137 uM 1E7 C15 H13 Cl N2 O4 S COc1ccc(cc....
57 4AJ1 Kd = 770 uM AJ1 C10 H11 N3 O S CC(=O)Nc1c....
58 1GV0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2AA3 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
60 2A92 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
61 1GUZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4PLC - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
63 4PLF - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
64 4PLG - OXM C2 H3 N O3 C(=O)(C(=O....
65 1LLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 1LTH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
67 1PZG Ki = 25 mM A3D C22 H28 N6 O14 P2 CC(=O)c1cc....
68 1PZH - OXL C2 O4 C(=O)(C(=O....
69 1PZF - OXL C2 O4 C(=O)(C(=O....
70 1LDM - OXM C2 H3 N O3 C(=O)(C(=O....
71 2HJR - CIT C6 H8 O7 C(C(=O)O)C....
72 1EZ4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1EMD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 1IB6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
75 5KKA Ki = 34 nM 6V0 C21 H29 N7 O14 P2 c1nc(c2c(n....
76 2CMD - CIT C6 H8 O7 C(C(=O)O)C....
77 1IE3 Ki = 56 mM PYR C3 H4 O3 CC(=O)C(=O....
78 1MLD - CIT C6 H8 O7 C(C(=O)O)C....
79 1UXH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1UXJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 1UXK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 1UR5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 1GUY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 1UXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
85 1UXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1O6Z - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
87 1SOW - OXL C2 O4 C(=O)(C(=O....
88 1LDN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6P3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6P3 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZVV; Ligand: GN0; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4zvv.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZVV; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4zvv.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZVV; Ligand: NAD; Similar sites found: 79
This union binding pocket(no: 3) in the query (biounit: 4zvv.bio1) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z82 NDP 0.0006015 0.46346 1.80723
2 5EVY FAD 0.003228 0.44387 1.82648
3 4GKV NAD 0.000001167 0.41787 2.10843
4 3WLE NAD 0.00001097 0.40275 2.10843
5 3HAD NAD 0.0001739 0.40061 2.27273
6 1E6W NAD 0.0001959 0.47746 2.30769
7 5TUF FAD 0.0003147 0.46293 2.40964
8 5M67 3D1 0.00001731 0.42896 2.40964
9 5M67 ADE 0.00001755 0.42882 2.40964
10 5M67 NAD 0.00001918 0.42774 2.40964
11 1PL6 572 0.000003898 0.4016 2.40964
12 5JCJ NAP 0.0001303 0.48818 2.43056
13 4CM4 NAP 0.0001682 0.48353 2.43056
14 2ZJ1 NAD 0.00002016 0.43041 2.71084
15 2ZJ1 ARJ 0.00002035 0.43037 2.71084
16 3OND ADN 0.0000216 0.42367 2.71084
17 3OND NAD 0.0000216 0.42367 2.71084
18 1CER NAD 0.00006014 0.50987 2.71903
19 4RQU NAD 0.0000004572 0.40823 3.01205
20 5UFS 1TA 0.02488 0.40584 3.22581
21 2JAP NDP 0.0007495 0.45059 3.23887
22 1E3I CXF 0.000004824 0.52046 3.31325
23 1MV8 NAD 0.000001055 0.40119 3.31325
24 1MUU NAD 0.000001019 0.40095 3.31325
25 4E5N NAD 0.000005894 0.40096 3.33333
26 4YCA NDP 0.00001134 0.54116 3.40136
27 3WXB NDP 0.002433 0.42981 3.58423
28 1M2W NAD 0.0005466 0.4789 3.61446
29 5TS5 FAD 0.002353 0.40869 3.61446
30 1GEE NAD 0.0009553 0.44909 3.83142
31 2AHR NAP 0.006435 0.41262 3.861
32 3U3U EAH 0.01811 0.42064 3.86266
33 4DPL NAP 0.0005593 0.45867 3.91566
34 3GFB NAD 0.00000261 0.56392 4.51807
35 1TV5 N8E 0.001515 0.51581 4.51807
36 4EI7 GDP 0.02112 0.40666 4.51807
37 3QJ4 FAD 0.002148 0.41607 4.81928
38 1V8B NAD 0.000006146 0.41001 4.81928
39 5FJJ MAN 0.0073 0.40175 4.81928
40 4J4H NAI 0.00007073 0.40718 5.01931
41 4J4H 1J1 0.00007073 0.40718 5.01931
42 3OA2 NAD 0.00004415 0.50786 5.03145
43 3OFK SAH 0.0215 0.4088 5.09259
44 5VN0 NAI 0.000302 0.47959 5.42169
45 5VN0 FAD 0.0006623 0.43488 5.42169
46 2JHF NAD 0.0002073 0.44755 5.61497
47 5N53 8NB 0.0009568 0.5202 5.64103
48 3GGO NAI 0.00001864 0.4112 5.73248
49 3GGO ENO 0.00001864 0.4112 5.73248
50 3SJU NDP 0.00035 0.46403 5.73477
51 3A28 NAD 0.0009278 0.44961 5.81395
52 4XYB NDP 0.00004756 0.48915 6.0241
53 5KQA GSH 0.03915 0.42805 6.06061
54 1Q7B NAP 0.003728 0.42468 6.14754
55 1U3U BNF 0.000008538 0.42122 6.3253
56 1U3U NAD 0.000008538 0.42122 6.3253
57 5DOZ NDP 0.007668 0.41173 6.3253
58 1D1T NAD 0.000001391 0.40937 6.3253
59 2YIP YIO 0.04896 0.40861 6.52174
60 1LLU NAD 0.000002285 0.41113 6.62651
61 2I3G NAP 0.0005066 0.4575 7.10227
62 1U8X NAD 0.00001927 0.53122 7.53012
63 2DT5 NAD 0.0000002485 0.41988 8.05687
64 2GMH FAD 0.0009065 0.42335 8.43373
65 1RPN NDP 0.001386 0.42751 8.73494
66 1SC6 NAD 0.000006075 0.40268 8.73494
67 5JE8 NAD 0.0000004765 0.60614 8.9404
68 1VL8 NAP 0.0001299 0.4752 8.98876
69 3O9Z NAD 0.0002801 0.4325 9.61539
70 3O9Z AKG 0.000691 0.4213 9.61539
71 2VHW NAI 0.000000434 0.4397 9.63855
72 1GZ6 NAI 0.0002455 0.47029 10.3448
73 1QMG APX 0.0062 0.43097 10.5422
74 3NJ4 NAD 0.0002446 0.43987 11.1446
75 3NJ4 AFX 0.0003996 0.43295 11.1446
76 2NPX FAD 0.003166 0.41187 12.3494
77 2CVQ NDP 0.00000002583 0.44698 27.5229
78 4MDH NAD 0.00000003168 0.4367 37.0482
79 5MDH NAD 0.00000004462 0.43632 37.0482
Pocket No.: 4; Query (leader) PDB : 4ZVV; Ligand: GN0; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4zvv.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4ZVV; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4zvv.bio1) has 55 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ZVV; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4zvv.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4ZVV; Ligand: GN0; Similar sites found: 79
This union binding pocket(no: 7) in the query (biounit: 4zvv.bio1) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Z82 NDP 0.0006015 0.46346 1.80723
2 5EVY FAD 0.003228 0.44387 1.82648
3 4GKV NAD 0.000001167 0.41787 2.10843
4 3WLE NAD 0.00001097 0.40275 2.10843
5 3HAD NAD 0.0001739 0.40061 2.27273
6 1E6W NAD 0.0001959 0.47746 2.30769
7 5TUF FAD 0.0003147 0.46293 2.40964
8 5M67 3D1 0.00001731 0.42896 2.40964
9 5M67 ADE 0.00001755 0.42882 2.40964
10 5M67 NAD 0.00001918 0.42774 2.40964
11 1PL6 572 0.000003898 0.4016 2.40964
12 5JCJ NAP 0.0001303 0.48818 2.43056
13 4CM4 NAP 0.0001682 0.48353 2.43056
14 2ZJ1 NAD 0.00002016 0.43041 2.71084
15 2ZJ1 ARJ 0.00002035 0.43037 2.71084
16 3OND ADN 0.0000216 0.42367 2.71084
17 3OND NAD 0.0000216 0.42367 2.71084
18 1CER NAD 0.00006014 0.50987 2.71903
19 4RQU NAD 0.0000004572 0.40823 3.01205
20 5UFS 1TA 0.02488 0.40584 3.22581
21 2JAP NDP 0.0007495 0.45059 3.23887
22 1E3I CXF 0.000004824 0.52046 3.31325
23 1MV8 NAD 0.000001055 0.40119 3.31325
24 1MUU NAD 0.000001019 0.40095 3.31325
25 4E5N NAD 0.000005894 0.40096 3.33333
26 4YCA NDP 0.00001134 0.54116 3.40136
27 3WXB NDP 0.002433 0.42981 3.58423
28 1M2W NAD 0.0005466 0.4789 3.61446
29 5TS5 FAD 0.002353 0.40869 3.61446
30 1GEE NAD 0.0009553 0.44909 3.83142
31 2AHR NAP 0.006435 0.41262 3.861
32 3U3U EAH 0.01811 0.42064 3.86266
33 4DPL NAP 0.0005593 0.45867 3.91566
34 3GFB NAD 0.00000261 0.56392 4.51807
35 1TV5 N8E 0.001515 0.51581 4.51807
36 4EI7 GDP 0.02112 0.40666 4.51807
37 3QJ4 FAD 0.002148 0.41607 4.81928
38 1V8B NAD 0.000006146 0.41001 4.81928
39 5FJJ MAN 0.0073 0.40175 4.81928
40 4J4H NAI 0.00007073 0.40718 5.01931
41 4J4H 1J1 0.00007073 0.40718 5.01931
42 3OA2 NAD 0.00004415 0.50786 5.03145
43 3OFK SAH 0.0215 0.4088 5.09259
44 5VN0 NAI 0.000302 0.47959 5.42169
45 5VN0 FAD 0.0006623 0.43488 5.42169
46 2JHF NAD 0.0002073 0.44755 5.61497
47 5N53 8NB 0.0009568 0.5202 5.64103
48 3GGO NAI 0.00001864 0.4112 5.73248
49 3GGO ENO 0.00001864 0.4112 5.73248
50 3SJU NDP 0.00035 0.46403 5.73477
51 3A28 NAD 0.0009278 0.44961 5.81395
52 4XYB NDP 0.00004756 0.48915 6.0241
53 5KQA GSH 0.03915 0.42805 6.06061
54 1Q7B NAP 0.003728 0.42468 6.14754
55 1U3U BNF 0.000008538 0.42122 6.3253
56 1U3U NAD 0.000008538 0.42122 6.3253
57 5DOZ NDP 0.007668 0.41173 6.3253
58 1D1T NAD 0.000001391 0.40937 6.3253
59 2YIP YIO 0.04896 0.40861 6.52174
60 1LLU NAD 0.000002285 0.41113 6.62651
61 2I3G NAP 0.0005066 0.4575 7.10227
62 1U8X NAD 0.00001927 0.53122 7.53012
63 2DT5 NAD 0.0000002485 0.41988 8.05687
64 2GMH FAD 0.0009065 0.42335 8.43373
65 1RPN NDP 0.001386 0.42751 8.73494
66 1SC6 NAD 0.000006075 0.40268 8.73494
67 5JE8 NAD 0.0000004765 0.60614 8.9404
68 1VL8 NAP 0.0001299 0.4752 8.98876
69 3O9Z NAD 0.0002801 0.4325 9.61539
70 3O9Z AKG 0.000691 0.4213 9.61539
71 2VHW NAI 0.000000434 0.4397 9.63855
72 1GZ6 NAI 0.0002455 0.47029 10.3448
73 1QMG APX 0.0062 0.43097 10.5422
74 3NJ4 NAD 0.0002446 0.43987 11.1446
75 3NJ4 AFX 0.0003996 0.43295 11.1446
76 2NPX FAD 0.003166 0.41187 12.3494
77 2CVQ NDP 0.00000002583 0.44698 27.5229
78 4MDH NAD 0.00000003168 0.4367 37.0482
79 5MDH NAD 0.00000004462 0.43632 37.0482
Pocket No.: 8; Query (leader) PDB : 4ZVV; Ligand: GN0; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4zvv.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback