Structure of PDB 4a8h Chain B Binding Site BS01

Receptor Information
>4a8h Chain B (length=340) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRDYVTTETYTKEEMHYLVDLSLKIKEAIKNGYYPQLLKNKSLGMIFQQ
SSTRTRVSFETAMEQLGGHGEYLAPGQIQLGGHETIEDTSRVLSRLVDIL
MARVERHHSIVDLANCATIPVINGMSDYNHPTQELGDLCTMVEHLPEGKK
LEDCKVVFVGDATQVCFSLGLITTKMGMNFVHFGPEGFQLNEEHQAKLAK
NCEVSGGSFLVTDDASSVEGADFLYTDVWYGLYEAELSEEERMKVFYPKY
QVNQEMMDRAGANCKFMHCLPATRGEEVTDEVIDGKNSICFDEAENRLTS
IRGLLVYLMNDYEAKNPYDLIKQAEAKKELEVFLDTQSIS
Ligand information
Ligand IDPUW
InChIInChI=1S/C6H15N2O4P/c7-3-1-2-4-8-6(9)5-13(10,11)12/h1-5,7H2,(H,8,9)(H2,10,11,12)
InChIKeyVJPDOEGJBRLVCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCCCCN)CP(=O)(O)O
OpenEye OEToolkits 1.7.6C(CCNC(=O)CP(=O)(O)O)CN
CACTVS 3.370NCCCCNC(=O)C[P](O)(O)=O
FormulaC6 H15 N2 O4 P
NameN-(PHOSPHONOACETYL)-PUTRESCINE
ChEMBL
DrugBank
ZINC
PDB chain4a8h Chain B Residue 1341 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a8h New Insight Into the Transcarbamylase Family: The Structure of Putrescine Transcarbamylase, a Key Catalyst for Fermentative Utilization of Agmatine
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S52 T53 R54 T55 R103 M125 H130 Q164 D227 C269 L270 R297
Binding residue
(residue number reindexed from 1)		S52 T53 R54 T55 R103 M125 H130 Q164 D227 C269 L270 R297
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R54 T55 G82 R103 H130 Q133 D227 C269 R297
Catalytic site (residue number reindexed from 1) R54 T55 G82 R103 H130 Q133 D227 C269 R297
Enzyme Commision number 2.1.3.6: putrescine carbamoyltransferase.
Gene Ontology
Molecular Function
GO:0004585 ornithine carbamoyltransferase activity
GO:0016597 amino acid binding
GO:0016740 transferase activity
GO:0016743 carboxyl- or carbamoyltransferase activity
GO:0050231 putrescine carbamoyltransferase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006596 polyamine biosynthetic process
GO:0019240 citrulline biosynthetic process
GO:0033388 putrescine biosynthetic process from arginine
GO:0033390 putrescine biosynthetic process from arginine via N-carbamoylputrescine
GO:0042450 arginine biosynthetic process via ornithine
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4a8h, PDBe:4a8h, PDBj:4a8h
PDBsum4a8h
PubMed22363663
UniProtQ837U7|PTC_ENTFA Putrescine carbamoyltransferase (Gene Name=ptcA)

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