Structure of PDB 2yg4 Chain A Binding Site BS02

Receptor Information
>2yg4 Chain A (length=449) Species: 1833 (Rhodococcus erythropolis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTLQRDVAIVGAGPSGLAAATALRKAGLSVAVIEARDRVGGRTWTDTIDG
AVLEIGGQWVSPDQTALISLLDELGLKTFERYREGESVYISSAGERTRYT
GDSFPTNETTKKEMDRLIDEMDDLAAQIGAEEPWAHPLARDLDTVSFKQW
LINQSDDAEARDNIGLFIAGGMLTKPAHSFSALQAVLMAASAGSFSHLVD
EDFILDKRVIGGMQQVSIRMAEALGDDVFLNAPVRTVKWNESGATVLADG
DIRVEASRVILAVPPNLYSRISYDPPLPRRQHQMHQHQSLGLVIKVHAVY
ETPFWREDGLSGTGFGASEVVQEVYDNTNHEDDRGTLVAFVSDEKADAMF
ELSAEERKATILASLARYLGPKAEEPVVYYESDWGSEEWTRGAYAASFDL
GGLHRYGADSRTPVGPIHFSCSDIAAEGYQHVDGAVRMGQRTAADIIAR
Ligand information
Ligand ID4HA
InChIInChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2/p+1
InChIKeyBLFRQYKZFKYQLO-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[NH3+]CCCCO
OpenEye OEToolkits 1.5.0C(CCO)C[NH3+]
ACDLabs 10.04OCCCC[NH3+]
FormulaC4 H12 N O
Name4-HYDROXYBUTAN-1-AMINIUM
ChEMBL
DrugBankDB02541
ZINC
PDB chain2yg4 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2yg4 Structure-Based Redesign of Cofactor Binding in Putrescine Oxidase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G172 E324 Y395
Binding residue
(residue number reindexed from 1)		G171 E323 Y394
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S62 S197 K296
Catalytic site (residue number reindexed from 1) S61 S196 K295
Enzyme Commision number 1.4.3.10: putrescine oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:2yg4, PDBe:2yg4, PDBj:2yg4
PDBsum2yg4
PubMed21486042
UniProtB0F9F6

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