Structure of PDB 4am8 Chain D Binding Site BS01

Receptor Information
>4am8 Chain D (length=349) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRDYVTTETYTKEEMHYLVDLSLKIKEAIKNGYYPQLLKNKSLGMIFQQ
SSTGTRVSFETAMEQLGGHGEYLAPGQIQLGGHETIEDTSRVLSRLVDIL
MARVERHHSIVDLANCATIPVINGMSDYNHPTQELGDLCTMVEHLPEGKK
LEDCKVVFVGDATQVCFSLGLITTKMGMNFVHFGPEGFQLNEEHQAKLAK
NCEVSGGSFLVTDDASSVEGADFLYTDVWYGLYEAELSEEERMKVFYPKY
QVNQEMMDRAGANCKFMHCLPATRGEEVTDEVIDGKNSICFDEAENRLTS
IRGLLVYLMNDYEAKNPYDLIKQAEAKKELEVFLDTQSISAAKLAAALE
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 chain4am8 Chain D Residue 401 [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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PDB4am8 Curing a Mutant Transcarbamylase with a Small Molecule: A Crystallographic View
Resolution1.99 Å
Binding residue
(original residue number in PDB)		S52 T53 G54 T55 R103 M125 H130 Q164 D227 L270 R297
Binding residue
(residue number reindexed from 1)		S52 T53 G54 T55 R103 M125 H130 Q164 D227 L270 R297
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G54 T55 R103 H130 Q133 D227 C269 R297
Catalytic site (residue number reindexed from 1) G54 T55 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
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Cellular Component
External links
PDB RCSB:4am8, PDBe:4am8, PDBj:4am8
PDBsum4am8
PubMed
UniProtQ837U7|PTC_ENTFA Putrescine carbamoyltransferase (Gene Name=ptcA)

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