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 1579 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 1312 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 1130 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: 156
No: Ligand ECFP6 Tc MDL keys Tc
1 SCA 1 1
2 GRA 0.899225 1
3 BCO 0.889764 0.977273
4 MLC 0.889764 1
5 1HE 0.889764 0.955556
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 CAO 0.84127 0.944444
18 COS 0.84127 0.955056
19 MFK 0.837037 0.955556
20 MYA 0.837037 0.955556
21 5F9 0.837037 0.955556
22 DCC 0.837037 0.955556
23 UCC 0.837037 0.955556
24 ST9 0.837037 0.955556
25 SCO 0.834646 0.977012
26 FAQ 0.834586 0.977273
27 CMC 0.830769 0.977273
28 CO6 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 YXR 0.80597 0.886598
42 MC4 0.80597 0.924731
43 YXS 0.80597 0.886598
44 0T1 0.80315 0.954545
45 COA 0.80315 0.977012
46 1CZ 0.80292 0.988636
47 DCA 0.801587 0.932584
48 BYC 0.8 0.977273
49 COW 0.8 0.966292
50 KFV 0.8 0.895833
51 1GZ 0.8 0.966292
52 COF 0.8 0.934066
53 IRC 0.8 0.988506
54 2KQ 0.8 0.977528
55 CS8 0.798561 0.945055
56 HDC 0.792857 0.955556
57 2CP 0.792593 0.966292
58 A1S 0.791045 0.955056
59 ETB 0.787402 0.9
60 FCX 0.78626 0.944444
61 AMX 0.784615 0.965517
62 MCD 0.781955 0.955056
63 2NE 0.776978 0.955556
64 CIC 0.776978 0.977273
65 FAM 0.772727 0.933333
66 4CA 0.768116 0.944444
67 HAX 0.766917 0.933333
68 WCA 0.760563 0.955556
69 1CV 0.760563 1
70 4CO 0.758865 0.944444
71 0FQ 0.758865 0.955056
72 CAJ 0.757353 0.955056
73 CA6 0.755556 0.867347
74 YZS 0.755556 0.886598
75 KGP 0.755556 0.886598
76 4KX 0.755245 0.945055
77 01A 0.753521 0.913979
78 NMX 0.75 0.884211
79 MRS 0.75 0.955556
80 MRR 0.75 0.955556
81 J5H 0.744828 0.977273
82 DAK 0.744828 0.945055
83 0ET 0.741259 0.934066
84 8Z2 0.739726 0.945055
85 S0N 0.739437 0.955056
86 CCQ 0.739437 0.934783
87 KGJ 0.73913 0.875
88 SO5 0.733813 0.896907
89 YE1 0.733813 0.94382
90 LCV 0.733813 0.896907
91 NHW 0.731034 0.934066
92 UOQ 0.731034 0.934066
93 NHM 0.731034 0.934066
94 UCA 0.729032 0.955556
95 HFQ 0.726027 0.934066
96 CA8 0.723404 0.886598
97 KGA 0.723404 0.885417
98 F8G 0.721854 0.935484
99 1HA 0.72 0.955556
100 NHQ 0.718121 0.965909
101 COT 0.710526 0.955056
102 01K 0.703947 0.955056
103 7L1 0.70073 0.966292
104 CA3 0.690323 0.955056
105 CA5 0.679245 0.913979
106 CO7 0.673611 0.977273
107 93P 0.664596 0.966292
108 93M 0.654545 0.966292
109 COD 0.651852 0.965517
110 N9V 0.646667 0.944444
111 PLM COA 0.638158 0.923077
112 COA PLM 0.638158 0.923077
113 HMG 0.625 0.965909
114 5TW 0.617143 0.914894
115 4BN 0.617143 0.914894
116 OXT 0.614943 0.914894
117 JBT 0.6 0.915789
118 COA FLC 0.597222 0.943182
119 BSJ 0.585227 0.945055
120 ASP ASP ASP ILE CMC NH2 0.558824 0.933333
121 191 0.544872 0.867347
122 PAP 0.540323 0.793103
123 RFC 0.505952 0.955556
124 SFC 0.505952 0.955556
125 PPS 0.503876 0.736842
126 ACE SER ASP ALY THR NH2 COA 0.497326 0.933333
127 A3P 0.491935 0.781609
128 0WD 0.476821 0.771739
129 PTJ 0.43662 0.873563
130 3AM 0.432 0.770115
131 AGS 0.425373 0.808989
132 SAP 0.425373 0.808989
133 PUA 0.425 0.802198
134 A22 0.42446 0.795455
135 A2D 0.418605 0.784091
136 PAJ 0.41844 0.885057
137 HQG 0.417266 0.816092
138 3OD 0.416667 0.827586
139 ATR 0.414815 0.781609
140 9BG 0.414013 0.771739
141 NA7 0.412587 0.83908
142 BA3 0.412214 0.784091
143 HEJ 0.410448 0.804598
144 ATP 0.410448 0.804598
145 ADP 0.409091 0.804598
146 AP5 0.409091 0.784091
147 B4P 0.409091 0.784091
148 48N 0.407895 0.811111
149 AQP 0.407407 0.804598
150 5FA 0.407407 0.804598
151 A2R 0.407143 0.816092
152 8LE 0.405797 0.850575
153 NJP 0.405063 0.788889
154 OAD 0.402778 0.827586
155 WAQ 0.4 0.862069
156 J4G 0.4 0.850575
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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