Structure of PDB 7ccy Chain C Binding Site BS01

Receptor Information
>7ccy Chain C (length=322) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVIRVGTRKSQLARIQTDSVVATLKASYPGLQFEIIAMSTTGDKILDTAL
SSLFTKELEHALEKNEVDLVVHSLKDLPTVLPPGFTIGAICKRENPHDAV
VFHPKFVGKTLETLPEKSVVGTSSLRRAAQLQRKFPHLEFRSIRGNLNTR
LRKLDEQQEFSAIILATAGLQRMGWHNRVGQILHPEECMYAVGQGALGVE
VRAKDQDILDLVGVLHDPETLLRCIAERAFLRHLEGGCSVPVAVHTAMKD
GQLYLTGGVWSLDGSDSIQETMQATIHPQLVGITARNIPRGPQLAAQNLG
ISLANLLLSKGAKNILDVARQL
Ligand information
Ligand IDFWL
InChIInChI=1S/C10H13IN2O4/c11-10-5(1-2-8(14)15)6(3-9(16)17)7(4-12)13-10/h13H,1-4,12H2,(H,14,15)(H,16,17)
InChIKeySQCPKOTYDSJOKL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCc1[nH]c(I)c(CCC(O)=O)c1CC(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)O)c1c(c([nH]c1I)CN)CC(=O)O
FormulaC10 H13 I N2 O4
Name3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid;
2-iodoporphobilinogen
ChEMBL
DrugBank
ZINC
PDB chain7ccy Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ccy Crystal structures of hydroxymethylbilane synthase complexed with a substrate analog: a single substrate-binding site for four consecutive condensation steps.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R26 S28 Q34 F77 S96 D99 G168 N169 R173
Binding residue
(residue number reindexed from 1)		R8 S10 Q16 F54 S73 D76 G145 N146 R150
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K98 D99 R149 R150 R167 R173 C261
Catalytic site (residue number reindexed from 1) K75 D76 R126 R127 R144 R150 C238
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:7ccy, PDBe:7ccy, PDBj:7ccy
PDBsum7ccy
PubMed33600566
UniProtP08397|HEM3_HUMAN Porphobilinogen deaminase (Gene Name=HMBS)

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