Structure of PDB 3eq1 Chain A Binding Site BS03

Receptor Information
>3eq1 Chain A (length=312) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVIRVGTRKSQLARIQTDSVVATLKASYPGLQFEIIAFTKELEHALEKNE
VDLVVHSLKDLPTVLPPGFTIGAICKRENPHDAVVFHPKFVGKTLETLPE
KSVVGTSSLRRAAQLQRKFPHLEFRSIQGNLNTRLRKLDEQQEFSAIILA
TAGLQRMGWHNRVGQILHPEECMYAVGQGALGVEVRAKDQDILDLVGVLH
DPETLLRCIAERAFLRHLEGGCSVPVAVHTAMKDGQLYLTGGVWSLDGSD
SIQETMQATIHVPQHEDDPQLVGITARNIPRGPQLAAQNLGISLANLLLS
KGAKNILDVARQ
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain3eq1 Chain A Residue 363 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3eq1 Structure of human porphobilinogen deaminase at 2.8 A: the molecular basis of acute intermittent porphyria
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H120 P208 H268
Binding residue
(residue number reindexed from 1)		H81 P169 H229
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K98 D99 R149 R150 Q167 R173 C261
Catalytic site (residue number reindexed from 1) K59 D60 R110 R111 Q128 R134 C222
Enzyme Commision number 2.5.1.61: hydroxymethylbilane synthase.
Gene Ontology
Molecular Function
GO:0004418 hydroxymethylbilane synthase activity
GO:0005515 protein binding
GO:0016740 transferase activity
Biological Process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0006782 protoporphyrinogen IX biosynthetic process
GO:0006783 heme biosynthetic process
GO:0006784 heme A biosynthetic process
GO:0006785 heme B biosynthetic process
GO:0018160 peptidyl-pyrromethane cofactor linkage
GO:0033014 tetrapyrrole biosynthetic process
GO:0048034 heme O biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3eq1, PDBe:3eq1, PDBj:3eq1
PDBsum3eq1
PubMed19207107
UniProtP08397|HEM3_HUMAN Porphobilinogen deaminase (Gene Name=HMBS)

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