Structure of PDB 4xmw Chain A Binding Site BS02

Receptor Information
>4xmw Chain A (length=867) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPQAKYRHDYRAPDYQITDIDLTFDLDAQKTVVTAVSQAVRHGASDAPLR
LNGEDLKLVSVHINDEPWTAWKEEEGALVISNLPERFTLKIINEISPAAN
TALEGLYQSGDALCTQCEAEGFRHITYYLDRPDVLARFTTKIIADKIKYP
FLLSNGNRVAQGELENGRHWVQWQDPFPKPCYLFALVAGDFDVLRDTFTT
RSGREVALELYVDRGNLDRAPWAMTSLKNSMKWDEERFGLEYDLDIYMIV
AVDFFNAGAMENKGLNIFNSKYVLARTDTATDKDYLDIERVIGHEYFHNW
TGNRVTCRDWFQLSLKEGLTVFRDQEFSSDLGSRAVNRINNVRTMRGLQF
AEDASPMAHPIRPDMVIEMNNFYTLTVYEKGAEVIRMIHTLLGEENFQKG
MQLYFERHDGSAATCDDFVQAMEDASNVDLSHFRRWYSQSGTPIVTVKDD
YNPETEQYTLTISQRTPATPDQAEKQPLHIPFAIELYDNEGKVIPLQKGG
HPVNSVLNVTQAEQTFVFDNVYFQPVPALLCEFSAPVKLEYKWSDQQLTF
LMRHARNDFSRWDAAQSLLATYIKLNVARHQQGQPLSLPVHVADAFRAVL
LDEKIDPALAAEILTLPSVNEMAELFDIIDPIAIAEVREALTRTLATELA
DELLAIYNANYQSEYRVEHEDIAKRTLRNACLRFLAFGETHLADVLVSKQ
FHEANNMTDALAALSAAVAAQLPCRDALMQEYDDKWHQNGLVMDKWFILQ
ATSPAANVLETVRGLLQHRSFTMSNPNRIRSLIGAFAGSNPAAFHAEDGS
GYLFLVEMLTDLNSRNPQVASRLIEPLIRLKRYDAKRQEKMRAALEQLKG
LENLSGDLYEKITKALA
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain4xmw Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xmw Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-aspartic acid
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A260 A262 H297 E298 E320 Y376 Y381
Binding residue
(residue number reindexed from 1)		A257 A259 H294 E295 E317 Y373 Y378
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E264 H297 E298 H301 E320 N373 Y381
Catalytic site (residue number reindexed from 1) E261 H294 E295 H298 E317 N370 Y378
Enzyme Commision number 3.4.11.2: membrane alanyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4xmw, PDBe:4xmw, PDBj:4xmw
PDBsum4xmw
PubMed
UniProtP04825|AMPN_ECOLI Aminopeptidase N (Gene Name=pepN)

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