Receptor
PDB id Resolution Class Description Source Keywords
3P47 1.78 Å EC: 2.3.1.30 CRYSTAL STRUCTURE OF ENTAMOEBA HISTOLYTICA SERINE ACETYLTRAN IN COMPLEX WITH L-CYSTEINE ENTAMOEBA HISTOLYTICA SERINE ACETYLTRANSFERASE CYSTEINE SYNTHASE ACETYLTRANSFERATRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES OF SERINE ACETYLTRANSFERASE REVEAL WHY THE PARASITE ENTAMOEBA HISTOLYTICA CANNOT FORM A CYSTEINE SYNTHASE COMPLEX J.BIOL.CHEM. V. 286 12533 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:314;
Valid;
none;
submit data
121.158 C3 H7 N O2 S C([C@...
SO4 A:315;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P47 1.78 Å EC: 2.3.1.30 CRYSTAL STRUCTURE OF ENTAMOEBA HISTOLYTICA SERINE ACETYLTRAN IN COMPLEX WITH L-CYSTEINE ENTAMOEBA HISTOLYTICA SERINE ACETYLTRANSFERASE CYSTEINE SYNTHASE ACETYLTRANSFERATRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES OF SERINE ACETYLTRANSFERASE REVEAL WHY THE PARASITE ENTAMOEBA HISTOLYTICA CANNOT FORM A CYSTEINE SYNTHASE COMPLEX J.BIOL.CHEM. V. 286 12533 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3P47 - CYS C3 H7 N O2 S C([C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3P47 - CYS C3 H7 N O2 S C([C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3P47 - CYS C3 H7 N O2 S C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CYS; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 DAS 0.521739 0.703704
11 ASP 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 HSE 0.5 0.75
15 DAB 0.5 0.777778
16 API 0.48 0.62069
17 AS2 0.48 0.692308
18 LEU 0.48 0.692308
19 CSO 0.48 0.677419
20 NVA 0.48 0.666667
21 GLU 0.444444 0.642857
22 DGL 0.444444 0.642857
23 GGL 0.444444 0.642857
24 DAL 0.428571 0.608696
25 ALA 0.428571 0.608696
26 ORN 0.428571 0.740741
27 NLE 0.413793 0.62069
28 3GC 0.405405 0.647059
29 DLY 0.4 0.714286
30 MED 0.4 0.666667
31 UN1 0.4 0.62069
32 11C 0.4 0.62069
33 MET 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3P47; Ligand: CYS; Similar sites found: 74
This union binding pocket(no: 1) in the query (biounit: 3p47.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.006778 0.44384 None
2 1UO4 PIH 0.02387 0.40672 None
3 1SS4 GSH 0.002244 0.47806 1.30719
4 1QJC PNS 0.008467 0.43573 1.89873
5 1A5Z OXM 0.002252 0.44056 2.22222
6 4RJK PYR 0.007612 0.44117 2.53968
7 2YYJ 4HP 0.04213 0.41699 2.53968
8 2YYJ FAD 0.04213 0.41699 2.53968
9 3TA2 ATP 0.0003246 0.47988 2.54237
10 1BTN I3P 0.01009 0.43824 2.83019
11 1WL4 COA 0.002578 0.45165 2.85714
12 2NLI FMN 0.04277 0.40583 2.85714
13 2NLI LAC 0.04547 0.40583 2.85714
14 2TOH HBI 0.0121 0.40145 2.85714
15 3PY5 AMP 0.005325 0.40343 2.91971
16 4JCA CIT 0.01102 0.42372 2.99401
17 2BZ1 TAU 0.008418 0.43885 3.06122
18 3E5P PPI 0.01812 0.42725 3.1746
19 4M5P MLA 0.008345 0.42982 3.49206
20 2C7G ODP 0.02826 0.41286 3.49206
21 3O03 NAP 0.0279 0.41445 3.78007
22 2W8Q SIN 0.003449 0.41702 3.80952
23 3FSJ D7K 0.03737 0.41445 3.80952
24 1EXB NDP 0.03781 0.41528 3.8835
25 1H16 DTL 0.0046 0.43411 4.12698
26 2BLE 5GP 0.01645 0.42636 4.12698
27 2PNZ UDP 0.001588 0.43958 4.41767
28 2PNZ 5GP 0.003295 0.40174 4.41767
29 3TKA CTN 0.02607 0.40149 4.44444
30 3MAG 3MA 0.007666 0.43168 4.56026
31 3VHZ SOG 0.00397 0.45621 4.58015
32 3VHZ L2P GLC MAN SGA 0.004605 0.45621 4.58015
33 2WGC SIA GAL BGC 0.01309 0.42867 4.67836
34 2HMT NAI 0.00258 0.45534 4.86111
35 1B66 BIO 0.01 0.40176 5
36 3K37 BCZ 0.02323 0.42745 5.07937
37 1I9G SAM 0.01693 0.41701 5.07937
38 2EI4 22B 0.03238 0.4023 5.13834
39 1MVN PCO 0.00652 0.44312 5.26316
40 1MVN FMN 0.01437 0.41389 5.26316
41 4TSK TLA 0.001061 0.43766 5.39683
42 4KXV TDP DX5 0.01893 0.40863 5.39683
43 4Q3R XA2 0.001026 0.44745 5.71429
44 1RYI GOA 0.005567 0.45243 6.03175
45 3MB5 SAM 0.02013 0.41675 6.27451
46 1OFH ADP 0.01324 0.43005 6.32184
47 2VJJ RAM GLC GAL NAG NAG GLC 0.007511 0.43575 6.34921
48 2NS1 ADP 0.0006162 0.46795 6.66667
49 1YBH FAD 0.04026 0.41978 6.66667
50 1YBH P22 0.01355 0.4074 6.66667
51 2V5E SCR 0.01653 0.41481 6.93069
52 4LBP 1WG 0.002141 0.43873 7
53 2GJ3 FAD 0.02809 0.42351 7.5
54 4O8A 2OP 0.00376 0.43832 7.61905
55 1QCA FUA 0.006176 0.42131 7.61905
56 2QIA U20 0.03838 0.40571 7.63359
57 3K9W ADE 0.02247 0.43516 8.02139
58 3K9W 4PS 0.02247 0.43516 8.02139
59 2WIC GNP 0.009282 0.40547 8.61423
60 4DN8 BMA 0.000889 0.44306 8.97436
61 4LO6 SIA GAL 0.004681 0.42234 9.20635
62 1T0S BML 0.01141 0.40811 9.30233
63 4C0C WVH 0.009181 0.42805 9.84127
64 1DKU AP2 0.004165 0.42443 9.84127
65 1NU4 MLA 0.003736 0.45754 10.3093
66 1MG1 MAL 0.002686 0.4251 11.1111
67 2XZ3 MAL 0.01636 0.40145 11.1111
68 4Q3F TLA 0.001045 0.44009 12.8205
69 3H86 AP5 0.008819 0.43492 15.1042
70 3S9K CIT 0.03114 0.40581 15.2542
71 1RZM E4P 0.007818 0.40904 15.5556
72 4F8L GAL 0.008279 0.43924 19.3103
73 3FS8 ACO 0.008183 0.44894 20.8791
74 3FS8 TDR 0.007534 0.44894 20.8791
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