Structure of PDB 3som Chain I Binding Site BS02

Receptor Information
>3som Chain I (length=228) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKVAELKQKIEDTLCPFGFEVYPFQVAWYNELLPPAFHLPLPGPTLAFLV
LSTPAMFDRALKPFLQSCHLRMLTDPVDQCVAYHLGRVRESLPELQIEII
ADYEVHPNRRPKILAQTAAHVAGAAYYYQRQDVEADPWGNQRISGVCIHP
RFGGWFAIRGVVLLPGIEVPDLPPRKPHDCVPTRADRIALLEGFNFHWRD
WTYRDAVTPQERYSEEQKAYFSTPPAQR
Ligand information
Ligand IDDHL
InChIInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
InChIKeyUFULAYFCSOUIOV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04SCCN
OpenEye OEToolkits 1.5.0C(CS)N
CACTVS 3.341NCCS
FormulaC2 H7 N S
Name2-AMINO-ETHANETHIOL;
2,3-DESHYDROLANTHIONINE
ChEMBLCHEMBL602
DrugBankDB00847
ZINCZINC000008034121
PDB chain3som Chain I Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3som Structure of MMACHC reveals an arginine-rich pocket and a domain-swapped dimer for its B12 processing function.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P152 C182
Binding residue
(residue number reindexed from 1)		P150 C180
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.1.6: cyanocobalamin reductase.
2.5.1.151: alkylcobalamin dealkylase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0031419 cobalamin binding
GO:0032451 demethylase activity
GO:0033787 cyanocobalamin reductase (cyanide-eliminating) (NADP+) activity
GO:0042803 protein homodimerization activity
GO:0043295 glutathione binding
GO:0071949 FAD binding
Biological Process
GO:0006749 glutathione metabolic process
GO:0009235 cobalamin metabolic process
GO:0070988 demethylation
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:3som, PDBe:3som, PDBj:3som
PDBsum3som
PubMed22642810
UniProtQ9Y4U1|MMAC_HUMAN Cyanocobalamin reductase / alkylcobalamin dealkylase (Gene Name=MMACHC)

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