Receptor
PDB id Resolution Class Description Source Keywords
2VZZ 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RV0802C FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH SUCCINYL-COA MYCOBACTERIUM TUBERCULOSIS GCN5-RELATED N-ACETYLTRANSFERASE MYCOBACTERIUM TUBERCULOSISTRANSFERASE RV0802C SUCCINYLTRANSFERASE
Ref.: RV0802C FROM MYCOBACTERIUM TUBERCULOSIS: THE FIRST STRUCTURE OF A SUCCINYLTRANSFERASE WITH THE GNAT FO ACTA CRYSTALLOGR.,SECT.F V. 64 978 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SCA A:601;
B:601;
C:601;
D:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
867.607 C25 H40 N7 O19 P3 S CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VZZ 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RV0802C FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH SUCCINYL-COA MYCOBACTERIUM TUBERCULOSIS GCN5-RELATED N-ACETYLTRANSFERASE MYCOBACTERIUM TUBERCULOSISTRANSFERASE RV0802C SUCCINYLTRANSFERASE
Ref.: RV0802C FROM MYCOBACTERIUM TUBERCULOSIS: THE FIRST STRUCTURE OF A SUCCINYLTRANSFERASE WITH THE GNAT FO ACTA CRYSTALLOGR.,SECT.F V. 64 978 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2VZZ - SCA C25 H40 N7 O19 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2VZZ - SCA C25 H40 N7 O19 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2VZZ - SCA C25 H40 N7 O19 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SCA; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 SCA 1 1
2 GRA 0.899225 1
3 1HE 0.889764 0.955556
4 BCO 0.889764 0.977273
5 MLC 0.889764 1
6 1VU 0.874016 0.966292
7 HGG 0.869231 1
8 IVC 0.860465 0.988506
9 3HC 0.860465 0.988506
10 ACO 0.857143 0.966292
11 HXC 0.856061 0.955556
12 CAA 0.853846 0.988506
13 OXK 0.851562 1
14 TGC 0.849624 0.988636
15 3KK 0.84375 0.977273
16 CO8 0.843284 0.955556
17 COS 0.84127 0.955056
18 CAO 0.84127 0.944444
19 MYA 0.837037 0.955556
20 UCC 0.837037 0.955556
21 MFK 0.837037 0.955556
22 5F9 0.837037 0.955556
23 DCC 0.837037 0.955556
24 ST9 0.837037 0.955556
25 SCO 0.834646 0.977012
26 FAQ 0.834586 0.977273
27 CO6 0.830769 0.977273
28 CMC 0.830769 0.977273
29 MCA 0.825758 0.988636
30 2MC 0.824427 0.934783
31 CMX 0.820312 0.977012
32 FYN 0.815385 0.977012
33 3CP 0.813433 0.977273
34 30N 0.8125 0.894737
35 COO 0.81203 0.977273
36 SCD 0.810606 0.977012
37 SOP 0.80916 0.955056
38 COK 0.80916 0.955056
39 BCA 0.807407 0.966292
40 YNC 0.807143 0.966292
41 MC4 0.80597 0.924731
42 COA 0.80315 0.977012
43 0T1 0.80315 0.954545
44 1CZ 0.80292 0.988636
45 DCA 0.801587 0.932584
46 BYC 0.8 0.977273
47 COW 0.8 0.966292
48 IRC 0.8 0.988506
49 2KQ 0.8 0.977528
50 1GZ 0.8 0.966292
51 COF 0.8 0.934066
52 CS8 0.798561 0.945055
53 HDC 0.792857 0.955556
54 2CP 0.792593 0.966292
55 A1S 0.791045 0.955056
56 ETB 0.787402 0.9
57 FCX 0.78626 0.944444
58 AMX 0.784615 0.965517
59 MCD 0.781955 0.955056
60 2NE 0.776978 0.955556
61 CIC 0.776978 0.977273
62 FAM 0.772727 0.933333
63 4CA 0.768116 0.944444
64 HAX 0.766917 0.933333
65 1CV 0.760563 1
66 WCA 0.760563 0.955556
67 0FQ 0.758865 0.955056
68 4CO 0.758865 0.944444
69 CAJ 0.757353 0.955056
70 CA6 0.755556 0.867347
71 4KX 0.755245 0.945055
72 01A 0.753521 0.913979
73 MRR 0.75 0.955556
74 MRS 0.75 0.955556
75 NMX 0.75 0.884211
76 DAK 0.744828 0.945055
77 0ET 0.741259 0.934066
78 8Z2 0.739726 0.945055
79 CCQ 0.739437 0.934783
80 S0N 0.739437 0.955056
81 YE1 0.733813 0.94382
82 NHM 0.731034 0.934066
83 NHW 0.731034 0.934066
84 UOQ 0.731034 0.934066
85 UCA 0.729032 0.955556
86 HFQ 0.726027 0.934066
87 CA8 0.723404 0.886598
88 F8G 0.721854 0.935484
89 1HA 0.72 0.955556
90 NHQ 0.718121 0.965909
91 COT 0.710526 0.955056
92 01K 0.703947 0.955056
93 7L1 0.70073 0.966292
94 CA3 0.690323 0.955056
95 CA5 0.679245 0.913979
96 CO7 0.673611 0.977273
97 93P 0.664596 0.966292
98 93M 0.654545 0.966292
99 COD 0.651852 0.965517
100 PLM COA 0.638158 0.923077
101 COA PLM 0.638158 0.923077
102 HMG 0.625 0.965909
103 5TW 0.617143 0.914894
104 4BN 0.617143 0.914894
105 OXT 0.614943 0.914894
106 JBT 0.6 0.915789
107 BSJ 0.585227 0.945055
108 ASP ASP ASP ILE CMC NH2 0.558824 0.933333
109 191 0.544872 0.867347
110 PAP 0.540323 0.793103
111 SFC 0.505952 0.955556
112 RFC 0.505952 0.955556
113 PPS 0.503876 0.736842
114 ACE SER ASP ALY THR NH2 COA 0.497326 0.933333
115 A3P 0.491935 0.781609
116 0WD 0.476821 0.771739
117 PTJ 0.43662 0.873563
118 3AM 0.432 0.770115
119 SAP 0.425373 0.808989
120 AGS 0.425373 0.808989
121 PUA 0.425 0.802198
122 A22 0.42446 0.795455
123 A2D 0.418605 0.784091
124 PAJ 0.41844 0.885057
125 3OD 0.416667 0.827586
126 ATR 0.414815 0.781609
127 NA7 0.412587 0.83908
128 BA3 0.412214 0.784091
129 HEJ 0.410448 0.804598
130 ATP 0.410448 0.804598
131 AP5 0.409091 0.784091
132 B4P 0.409091 0.784091
133 ADP 0.409091 0.804598
134 48N 0.407895 0.811111
135 5FA 0.407407 0.804598
136 AQP 0.407407 0.804598
137 A2R 0.407143 0.816092
138 NJP 0.405063 0.788889
139 OAD 0.402778 0.827586
140 WAQ 0.4 0.862069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VZZ; Ligand: SCA; 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: 2vzz.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2VZZ; Ligand: SCA; 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: 2vzz.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VZZ; Ligand: SCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2vzz.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2VZZ; Ligand: SCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2vzz.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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