Structure of PDB 4a8p Chain F Binding Site BS01

Receptor Information
>4a8p Chain F (length=323) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRDYVTTETYTKEEMHYLVDLSLKIKEAIKNGYYPQLLKNKSLGMIFQQ
SSTRTRVSFETAMEQLGGHGEYLAETIEDTSRVLSRLVDILMARVERHHS
IVDLANCATIPVINGMSDYNHPTQELGDLCTMVEHLPEGKKLEDCKVVFV
GDATQVCFSLGLITTKMGMNFVHFGPEGFQLNEEHQAKLAKNCEVSGGSF
LVTDDASSVEGADFLYTDVWYSEEERMKVFYPKYQVNQEMMDRAGANCKF
MHCLPATRGEEVTDEVIDGKNSICFDEAENRLTSIRGLLVYLMNDYEAKN
PYDLIKQAEAKKELEVFLDTQSI
Ligand information
Ligand IDPAO
InChIInChI=1S/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m0/s1
InChIKeyFCIHAQFHXJOLIF-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=O)CP(=O)(O)O
CACTVS 3.341N[C@@H](CCCNC(=O)C[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(NCCCC(C(=O)O)N)CP(=O)(O)O
FormulaC7 H15 N2 O6 P
NameN-(PHOSPHONOACETYL)-L-ORNITHINE
ChEMBLCHEMBL1160567
DrugBankDB02011
ZINC
PDB chain4a8p Chain F Residue 1340 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a8p New Insight Into the Transcarbamylase Family: The Structure of Putrescine Transcarbamylase, a Key Catalyst for Fermentative Utilization of Agmatine
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T53 R54 T55 R103 Q164 D227 C269 L270
Binding residue
(residue number reindexed from 1)		T53 R54 T55 R94 Q155 D218 C253 L254
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R54 T55 R103 H130 Q133 D227 C269 R297
Catalytic site (residue number reindexed from 1) R54 T55 R94 H121 Q124 D218 C253 R281
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
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Cellular Component
External links
PDB RCSB:4a8p, PDBe:4a8p, PDBj:4a8p
PDBsum4a8p
PubMed22363663
UniProtQ837U7|PTC_ENTFA Putrescine carbamoyltransferase (Gene Name=ptcA)

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