Receptor
PDB id Resolution Class Description Source Keywords
5KKC 1.86 Å EC: 1.1.1.27 L-LACTATE DEHYDROGENASE FROM RABBIT MUSCLE WITH THE INHIBITO ORYCTOLAGUS CUNICULUS LACTATE DEHYDROGENASE INHIBITOR 6DHNAD BETA- 6-DIHYDRONICADENINE DINUCLEOTIDE OXIDOREDUCTASE
Ref.: LIGAND BINDING PHENOMENA THAT PERTAIN TO THE METABO FUNCTION OF RENALASE. ARCH.BIOCHEM.BIOPHYS. V. 612 46 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:403;
A:402;
D:402;
B:402;
C:402;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
6V0 D:401;
A:401;
B:401;
C:401;
Valid;
Valid;
Valid;
Valid;
Atoms found MORE than expected: % Diff = 2;
none;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
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: 6V0; Similar ligands found: 241
No: Ligand ECFP6 Tc MDL keys Tc
1 6V0 1 1
2 TXE 0.6875 0.961039
3 A2D 0.659574 0.921053
4 TXD 0.649123 0.935897
5 NAI 0.649123 0.986842
6 NAX 0.634783 0.949367
7 BA3 0.628866 0.921053
8 AP5 0.622449 0.921053
9 B4P 0.622449 0.921053
10 AR6 0.613861 0.896104
11 APR 0.613861 0.896104
12 AP0 0.610169 0.948718
13 AGS 0.607843 0.851852
14 SAP 0.607843 0.851852
15 ADP 0.606061 0.896104
16 ATP 0.60396 0.896104
17 AN2 0.6 0.884615
18 5FA 0.598039 0.896104
19 AQP 0.598039 0.896104
20 M33 0.594059 0.884615
21 CA0 0.594059 0.897436
22 AD9 0.592233 0.873418
23 ACP 0.588235 0.873418
24 A22 0.583333 0.909091
25 PRX 0.582524 0.82716
26 3OD 0.580357 0.897436
27 ADX 0.578431 0.811765
28 OAD 0.576577 0.897436
29 A1R 0.572727 0.864198
30 ATF 0.570093 0.8625
31 UP5 0.566667 0.948052
32 ACQ 0.566038 0.873418
33 ANP 0.566038 0.873418
34 AMP 0.561224 0.87013
35 A 0.561224 0.87013
36 5AL 0.560748 0.884615
37 ADQ 0.558559 0.897436
38 50T 0.557692 0.860759
39 ADJ 0.556452 0.902439
40 00A 0.553571 0.864198
41 SRP 0.550459 0.8625
42 4TC 0.544715 0.924051
43 4AD 0.544643 0.875
44 ABM 0.544554 0.848101
45 PR8 0.54386 0.833333
46 9SN 0.543103 0.853659
47 SRA 0.54 0.82716
48 EAD 0.537313 0.949367
49 OOB 0.535714 0.909091
50 8QN 0.535714 0.884615
51 AMP MG 0.534653 0.825
52 25L 0.534483 0.909091
53 AP2 0.533981 0.8625
54 A12 0.533981 0.8625
55 48N 0.532787 0.853659
56 T5A 0.531746 0.914634
57 0WD 0.53125 0.974026
58 AMO 0.530973 0.886076
59 PAJ 0.530973 0.843373
60 LAD 0.530435 0.843373
61 NXX 0.528455 0.910256
62 DND 0.528455 0.910256
63 CNA 0.527559 0.910256
64 DLL 0.526316 0.909091
65 AHX 0.526316 0.853659
66 PTJ 0.525862 0.831325
67 NB8 0.525862 0.853659
68 BIS 0.525862 0.841463
69 APC 0.523364 0.8625
70 TAT 0.522936 0.8625
71 5SV 0.522124 0.788235
72 25A 0.522124 0.896104
73 3UK 0.521739 0.897436
74 P1H 0.521739 0.925926
75 4UU 0.520661 0.948052
76 NDP 0.519685 0.974026
77 NAJ PZO 0.519084 0.924051
78 ADP MG 0.518868 0.8375
79 AU1 0.518868 0.873418
80 WAQ 0.517241 0.841463
81 TXP 0.515625 0.924051
82 BEF ADP 0.514019 0.817073
83 ADP BEF 0.514019 0.817073
84 1ZZ 0.512821 0.802326
85 FYA 0.512821 0.860759
86 ME8 0.512821 0.802326
87 TXA 0.512821 0.886076
88 OMR 0.512 0.813953
89 SON 0.509434 0.8625
90 GAP 0.509091 0.873418
91 XAH 0.508333 0.823529
92 NPW 0.507812 0.9375
93 ADV 0.504587 0.8625
94 RBY 0.504587 0.8625
95 ADP PO3 0.504587 0.87013
96 4UV 0.504132 0.948052
97 A4P 0.503937 0.892857
98 NZQ 0.503876 0.961538
99 FB0 0.503546 0.771739
100 YAP 0.5 0.875
101 G3A 0.5 0.876543
102 ATP MG 0.5 0.8375
103 FA5 0.5 0.886076
104 COD 0.496183 0.797753
105 139 0.496124 0.901235
106 UPA 0.496063 0.935897
107 AFH 0.495935 0.843373
108 G5P 0.495935 0.876543
109 GTA 0.491935 0.845238
110 LAQ 0.488 0.802326
111 DAL AMP 0.486957 0.860759
112 MAP 0.486957 0.851852
113 ALF ADP 0.486726 0.807229
114 ADP ALF 0.486726 0.807229
115 NAD 0.484848 0.909091
116 YLP 0.484127 0.804598
117 VO4 ADP 0.482456 0.860759
118 ANP MG 0.482456 0.829268
119 ADP VO4 0.482456 0.860759
120 4UW 0.480315 0.9125
121 A2R 0.478261 0.884615
122 TYM 0.476562 0.886076
123 G5A 0.473214 0.766667
124 YLB 0.472868 0.804598
125 5AS 0.472222 0.747253
126 7MD 0.472 0.845238
127 ADP BMA 0.470588 0.873418
128 TAD 0.468254 0.843373
129 A3D 0.466667 0.897436
130 ALF ADP 3PG 0.465116 0.8
131 LA8 ALF 3PG 0.465116 0.8
132 ATR 0.464286 0.87013
133 NAE 0.463768 0.875
134 62F 0.463576 0.845238
135 53H 0.461538 0.747253
136 7MC 0.461538 0.825581
137 YLC 0.461538 0.845238
138 A5A 0.46087 0.772727
139 NAQ 0.460432 0.853659
140 DZD 0.459259 0.888889
141 BT5 0.459259 0.775281
142 MYR AMP 0.459016 0.781609
143 NA7 0.458333 0.8625
144 M24 0.456522 0.833333
145 2A5 0.455357 0.82716
146 NJP 0.455224 0.898734
147 A A 0.454545 0.871795
148 IOT 0.454545 0.795455
149 DG1 0.453901 0.974026
150 1DG 0.453901 0.974026
151 AF3 ADP 3PG 0.453846 0.8
152 DSZ 0.453782 0.766667
153 54H 0.452991 0.755556
154 VMS 0.452991 0.755556
155 4TA 0.451852 0.879518
156 NMN AMP PO4 0.451852 0.948052
157 XNP 0.451852 0.925
158 BTX 0.451852 0.784091
159 PAP 0.451327 0.883117
160 YLA 0.451128 0.825581
161 JB6 0.45082 0.841463
162 ITT 0.45045 0.846154
163 7D4 0.45045 0.814815
164 TSB 0.449153 0.784091
165 AOC 0.448598 0.782051
166 TYR AMP 0.448 0.8625
167 AYB 0.447761 0.795455
168 ZID 0.446809 0.897436
169 AVV 0.445378 0.831325
170 5N5 0.444444 0.779221
171 SSA 0.444444 0.766667
172 FNK 0.444444 0.852273
173 P5A 0.442623 0.734043
174 NDC 0.442177 0.853659
175 AHZ 0.44186 0.781609
176 ARG AMP 0.44186 0.793103
177 LSS 0.441667 0.731183
178 NSS 0.441667 0.766667
179 52H 0.440678 0.747253
180 7D3 0.440367 0.814815
181 ATP A A A 0.44 0.883117
182 5CD 0.44 0.74359
183 RAB 0.438776 0.779221
184 ADN 0.438776 0.779221
185 XYA 0.438776 0.779221
186 LPA AMP 0.438462 0.781609
187 NDE 0.438356 0.886076
188 ARU 0.438017 0.8
189 AR6 AR6 0.4375 0.871795
190 SFD 0.437086 0.742268
191 5CA 0.436975 0.766667
192 N0B 0.43662 0.847059
193 FDA 0.436242 0.882353
194 YLY 0.435714 0.795455
195 ODP 0.433824 0.9125
196 NAD IBO 0.433824 0.851852
197 6FA 0.433333 0.847059
198 DTP 0.431034 0.814815
199 KAA 0.430894 0.741935
200 FAS 0.427632 0.857143
201 FAD 0.427632 0.857143
202 6AD 0.42735 0.821429
203 PPS 0.42735 0.790698
204 EP4 0.427184 0.719512
205 NVA LMS 0.42623 0.731183
206 6RE 0.425926 0.705882
207 F2N 0.425926 0.862069
208 A4D 0.425743 0.75641
209 AV2 0.423729 0.825
210 A3P 0.423423 0.87013
211 MAO 0.423423 0.727273
212 A2P 0.423423 0.857143
213 DTA 0.423077 0.75
214 LEU LMS 0.422764 0.731183
215 AMP DBH 0.421875 0.85
216 DAT 0.421053 0.814815
217 NAJ PYZ 0.41958 0.833333
218 GSU 0.419355 0.747253
219 MTA 0.419048 0.716049
220 3AT 0.418803 0.871795
221 7D5 0.415094 0.790123
222 A U 0.414815 0.898734
223 YSA 0.414062 0.766667
224 FAY 0.414013 0.86747
225 RFL 0.411392 0.827586
226 3DH 0.411215 0.716049
227 M2T 0.409524 0.682353
228 5X8 0.408696 0.728395
229 SMM 0.408333 0.659341
230 3AM 0.407407 0.833333
231 V3L 0.40678 0.871795
232 J7C 0.405405 0.714286
233 IMO 0.405405 0.833333
234 P5F 0.404908 0.850575
235 Z5A 0.40411 0.848837
236 ZAS 0.40367 0.731707
237 N6P 0.403226 0.844156
238 S4M 0.401786 0.641304
239 GJV 0.401786 0.697674
240 4YB 0.401515 0.75
241 WSA 0.4 0.775281
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
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