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 1256 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 1068 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 922 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: 137
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 CAO 0.84127 0.944444
18 COS 0.84127 0.955056
19 5F9 0.837037 0.955556
20 MYA 0.837037 0.955556
21 MFK 0.837037 0.955556
22 ST9 0.837037 0.955556
23 UCC 0.837037 0.955556
24 DCC 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 1GZ 0.8 0.966292
47 COF 0.8 0.934066
48 COW 0.8 0.966292
49 2KQ 0.8 0.977528
50 BYC 0.8 0.977273
51 IRC 0.8 0.988506
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 WCA 0.760563 0.955556
66 1CV 0.760563 1
67 4CO 0.758865 0.944444
68 0FQ 0.758865 0.955056
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 NMX 0.75 0.884211
74 MRR 0.75 0.955556
75 MRS 0.75 0.955556
76 DAK 0.744828 0.945055
77 0ET 0.741259 0.934066
78 8Z2 0.739726 0.945055
79 S0N 0.739437 0.955056
80 CCQ 0.739437 0.934783
81 YE1 0.733813 0.94382
82 UOQ 0.731034 0.934066
83 NHM 0.731034 0.934066
84 NHW 0.731034 0.934066
85 UCA 0.729032 0.955556
86 HFQ 0.726027 0.934066
87 CA8 0.723404 0.886598
88 1HA 0.72 0.955556
89 NHQ 0.718121 0.965909
90 COT 0.710526 0.955056
91 01K 0.703947 0.955056
92 CA3 0.690323 0.955056
93 CA5 0.679245 0.913979
94 CO7 0.673611 0.977273
95 93P 0.664596 0.966292
96 93M 0.654545 0.966292
97 COD 0.651852 0.965517
98 COA PLM 0.638158 0.923077
99 COA MYR 0.638158 0.923077
100 PLM COA 0.638158 0.923077
101 HMG 0.625 0.965909
102 4BN 0.617143 0.914894
103 5TW 0.617143 0.914894
104 OXT 0.614943 0.914894
105 JBT 0.6 0.915789
106 BSJ 0.585227 0.945055
107 191 0.544872 0.867347
108 PAP 0.540323 0.793103
109 SFC 0.505952 0.955556
110 RFC 0.505952 0.955556
111 PPS 0.503876 0.736842
112 ACE SER ASP ALY THR NH2 COA 0.5 0.933333
113 A3P 0.491935 0.781609
114 0WD 0.476821 0.771739
115 PTJ 0.43662 0.873563
116 3AM 0.432 0.770115
117 AGS 0.425373 0.808989
118 SAP 0.425373 0.808989
119 PUA 0.425 0.802198
120 A22 0.42446 0.795455
121 A2D 0.418605 0.784091
122 PAJ 0.41844 0.885057
123 3OD 0.416667 0.827586
124 ATR 0.414815 0.781609
125 NA7 0.412587 0.83908
126 BA3 0.412214 0.784091
127 ATP 0.410448 0.804598
128 ADP 0.409091 0.804598
129 AP5 0.409091 0.784091
130 B4P 0.409091 0.784091
131 48N 0.407895 0.811111
132 5FA 0.407407 0.804598
133 AQP 0.407407 0.804598
134 A2R 0.407143 0.816092
135 NJP 0.405063 0.788889
136 OAD 0.402778 0.827586
137 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: 136
This union binding pocket(no: 1) in the query (biounit: 2vzz.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BO4 COA 0.0000455 0.54359 None
2 1LNX URI 0.004462 0.4568 None
3 4WG0 CHD 0.01765 0.42638 None
4 5TDC NMM ILE PHE SER 0.03308 0.41188 None
5 4TUZ 36J 0.02346 0.40344 0.917431
6 5DXE EST 0.02091 0.40241 0.917431
7 1NF8 BOG 0.03717 0.41035 1.44928
8 3GUZ PAF 0.004683 0.44686 1.70455
9 4WZ6 ATP 0.005075 0.45331 1.83486
10 2Y91 98J 0.03942 0.4038 1.83486
11 1QSM ACO 0.000001991 0.53898 1.97368
12 5JPH COA 0.00003612 0.43846 2.08333
13 4RW3 TDA 0.001371 0.48903 2.29358
14 2YNC YNC 0.0001634 0.46046 2.29358
15 4RW3 SHV 0.03632 0.41246 2.29358
16 5XDT MB3 0.004242 0.40273 2.29358
17 5FVJ ACO 0.00001529 0.49902 2.40964
18 4KOT CE3 0.000007608 0.51565 2.46914
19 2ZPA ACO 0.000003728 0.48285 2.75229
20 3B9Q MLI 0.001752 0.47014 2.75229
21 3TO7 COA 0.00001907 0.4681 2.75229
22 1G8S MET 0.01512 0.42482 2.75229
23 4C2Z MYA 0.00005402 0.42481 2.75229
24 2X1L ADN 0.009434 0.4191 2.75229
25 4TV1 36M 0.02208 0.41657 2.75229
26 3TE4 ACO 0.00003291 0.45047 2.7907
27 1GHE ACO 0.00005614 0.45227 2.82486
28 4UA3 COA 0.00001507 0.52876 3.09278
29 4KVX ACO 0.00001298 0.48258 3.20513
30 1IID NHM 0.00005054 0.48592 3.21101
31 4C2X NHW 0.00007047 0.48018 3.21101
32 3D2M COA 0.00004999 0.47102 3.21101
33 3KC1 2T6 0.001835 0.44065 3.21101
34 4URN NOV 0.008904 0.43756 3.21101
35 2X8S AHR AHR AHR 0.01608 0.42392 3.21101
36 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03136 0.42343 3.21101
37 4EI7 GDP 0.00424 0.41122 3.21101
38 1RRV TYD 0.0139 0.40749 3.21101
39 4R2I ANP 0.001739 0.4751 3.33333
40 1N71 COA 0.000183 0.41416 3.33333
41 1KUV CA5 0.00002755 0.48435 3.38164
42 5UGW GSH 0.005639 0.45662 3.42857
43 1TV5 A26 0.001759 0.46384 3.66972
44 4YMU ATP 0.01439 0.42203 3.66972
45 5OFW 9TW 0.01987 0.41557 3.66972
46 1TV5 N8E 0.04185 0.40168 3.66972
47 2ZR9 DTP 0.032 0.40024 3.66972
48 2CNT COA 0.0000009372 0.51403 3.75
49 5N53 8NB 0.03416 0.40614 4.10256
50 2JDC CAO 0.0006885 0.43071 4.10959
51 4AVB ACO 0.000000008124 0.6418 4.12844
52 1IYK MYA 0.0001863 0.4383 4.12844
53 5FA5 MTA 0.005597 0.4261 4.12844
54 4K91 SIN 0.02863 0.42561 4.12844
55 4AG5 ADP 0.01966 0.42166 4.12844
56 2IYL GDP 0.02164 0.40889 4.12844
57 3BFV ADP 0.03038 0.40139 4.12844
58 1CJW COT 0.00004063 0.47011 4.21687
59 3F81 STT 0.01263 0.42006 4.37158
60 1BOB ACO 0.000001269 0.55784 4.58716
61 1M2Z BOG 0.007366 0.4535 4.58716
62 4GID 0GH 0.02841 0.40485 4.58716
63 4I67 G G G RPC 0.02404 0.40657 4.5977
64 2B4B COA 0.000006806 0.54397 4.67836
65 2B4D COA 0.0000062 0.46108 4.67836
66 3UEC ALA ARG TPO LYS 0.02135 0.41552 4.79452
67 1P0H COA 0.0000005788 0.58882 5.04587
68 1P0H ACO 0.000000613 0.58882 5.04587
69 5FS0 5JC 0.03743 0.4004 5.21327
70 2VEZ G6P 0.00002761 0.4826 5.26316
71 2VEZ ACO 0.00008607 0.46203 5.26316
72 2Q4V ACO 0.00000347 0.50205 5.29412
73 4U9W COA 0.000008013 0.51954 5.31401
74 3NHB ADP 0.005593 0.45108 5.50459
75 3WWC BUA 0.02226 0.41663 5.50459
76 1SQ5 ADP 0.01357 0.41521 5.50459
77 3WJO IPE 0.04782 0.40049 5.50459
78 1R9J TPP 0.00705 0.40201 5.9633
79 2VBQ BSJ 0.000006388 0.47412 6.06061
80 1I1D 16G 0.000002974 0.52151 6.21118
81 1I1D COA 0.0000008124 0.51141 6.21118
82 2DPY ADP 0.01625 0.42368 6.42202
83 5ND5 TPP 0.006149 0.40448 6.42202
84 4FFG 0U8 0.03753 0.40423 6.42202
85 5E5U MLI 0.03425 0.41665 6.53266
86 1GXU 2HP 0.00003481 0.56199 6.59341
87 4BQS ADP 0.0345 0.4062 6.81818
88 2WPW ACO 0.00007068 0.51521 6.88073
89 2WPX ACO 0.00007763 0.42106 6.88073
90 5LX9 OLB 0.01691 0.40687 6.88073
91 5HGZ ACO 0.00005772 0.45491 7.33945
92 3W9F I3P 0.03869 0.41415 7.33945
93 1DL2 NAG NAG BMA 0.0227 0.40275 7.33945
94 1PUA COA 0.00001433 0.53543 7.36196
95 1QSR ACO 0.00003808 0.45702 7.40741
96 1Q2D COA 0.000008901 0.4461 7.40741
97 1QSN COA 0.0000141 0.44399 7.40741
98 4OKD GLC GLC GLC 0.01131 0.43575 7.79817
99 4Y7U 491 0.03828 0.40458 7.79817
100 4CPB GAL CN8 0.02467 0.40675 8.26446
101 4H6U ACO 0.000006042 0.46836 8.5
102 4K30 NLG 0.02259 0.41186 8.75
103 1L0I PSR 0.009685 0.43884 8.97436
104 4B5P ACO 0.00008311 0.45506 9
105 3TDC 0EU 0.005558 0.50467 9.17431
106 3F8K COA 0.00000001403 0.57493 9.375
107 4CVN ADP 0.03271 0.40744 9.42408
108 1ITZ TPP 0.006447 0.40363 9.63303
109 1V0C KNC 0.0000000767 0.43154 9.90099
110 1V0C ACO 0.00000008886 0.40872 9.90099
111 4RI1 ACO 0.0000454 0.43702 10.2151
112 4YSX MLI 0.04726 0.40064 10.2564
113 1M4I KAN 0.000719 0.43654 10.4972
114 1M4I COA 0.000719 0.43654 10.4972
115 1M4I PAP 0.000719 0.43654 10.4972
116 1JJ7 ADP 0.002043 0.47652 10.5505
117 5F2T PLM 0.01636 0.40414 10.5505
118 5TCI MLI 0.0464 0.40102 10.5505
119 3ZJ0 ACO 0.00000183 0.50776 11.165
120 5EE7 5MV 0.04367 0.40431 11.4679
121 4NSQ COA 0.00001215 0.5447 11.5789
122 1TIQ COA 0.00001384 0.42454 12.2222
123 3I27 SID 0.02073 0.41804 12.3853
124 5LWY OLB 0.01117 0.41557 12.605
125 5CQG 55C 0.006115 0.44341 12.844
126 1CM0 COA 0.00001065 0.56052 13.0952
127 1JI0 ATP 0.002885 0.46347 13.7615
128 5GVR LMR 0.00165 0.47061 14.2202
129 4QC6 30N 0.00000008841 0.61271 15.6425
130 2FT0 ACO 0.0001003 0.50808 16.055
131 5H86 BCO 0.00008471 0.46595 16.6667
132 2ZW5 COA 0.0000000147 0.57007 21.5596
133 1S7N COA 0.0000003557 0.51107 21.978
134 4PSW COA 0.000004174 0.44967 23.6842
135 5GK9 ACO 0.000009942 0.48823 24
136 4XPL ACO 0.00000129 0.58943 34.3558
Pocket No.: 2; Query (leader) PDB : 2VZZ; Ligand: SCA; 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: 2vzz.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2VZZ; Ligand: SCA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2VZZ; Ligand: SCA; 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: 2vzz.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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