Structure of PDB 1aop Chain A Binding Site BS01
Receptor Information
>1aop Chain A (length=456) Species:
37762
(Escherichia coli B) [
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LLRCRLPGGVITTKQWQAIDKFAGENTIYGSIRLTNRQTFQFHGILPVHQ
MLHSVGLDALNDMNRNVLCTSNPYESQLHAEAYEWAKKISEHLLPTYLPR
KFKTTVVIPPQNDIDLHANDMNFVAIAENGKLVGFNLLVGGGLSIEHGNK
KTYARTASEFGYLPLEHTLAVAEAVVTTQRDWGNRTDRKNAKTKYTLERV
GVETFKAEVERRAGIKFEPIRPYEFTGRGDRIGWVKGIDDNWHLTLFIEN
GRILDYPARPLKTGLLEIAKIHKGDFRITANQNLIIAGVPESEKAKIEKI
AKESGLMNAVTPQRENSMACVSFPTCPLAMAEAERFLPSFIDNIDNLMAK
HGVSDEHIVMRVTGCPNGCGRAMLAEVGLVGKAPGRYNLHLGGNRIGTRI
PRMYKENITEPEILASLDELIGRWAKEREAGEGFGDFTVRAGIIRPVLDP
ARDLWD
Ligand information
Ligand ID
PO4
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
Software
SMILES
CACTVS 3.341
[O-][P]([O-])([O-])=O
ACDLabs 10.04
[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0
[O-]P(=O)([O-])[O-]
Formula
O4 P
Name
PHOSPHATE ION
ChEMBL
DrugBank
DB14523
ZINC
PDB chain
1aop Chain A Residue 585 [
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Receptor-Ligand Complex Structure
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PDB
1aop
Sulfite reductase structure at 1.6 A: evolution and catalysis for reduction of inorganic anions.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
R83 R153 K215 K217
Binding residue
(residue number reindexed from 1)
R3 R65 K101 K103
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
R83 R153 K215 K217 A394 C434 C440 C479 C483
Catalytic site (residue number reindexed from 1)
R3 R65 K101 K103 A280 C320 C326 C365 C369
Enzyme Commision number
1.8.1.2
: assimilatory sulfite reductase (NADPH).
Gene Ontology
Molecular Function
GO:0004783
sulfite reductase (NADPH) activity
GO:0016491
oxidoreductase activity
GO:0020037
heme binding
GO:0050661
NADP binding
GO:0051536
iron-sulfur cluster binding
GO:0051539
4 iron, 4 sulfur cluster binding
Biological Process
GO:0008652
amino acid biosynthetic process
Cellular Component
GO:0009337
sulfite reductase complex (NADPH)
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1aop
,
PDBe:1aop
,
PDBj:1aop
PDBsum
1aop
PubMed
7569952
UniProt
P17846
|CYSI_ECOLI Sulfite reductase [NADPH] hemoprotein beta-component (Gene Name=cysI)
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