Structure of PDB 6koz Chain A Binding Site BS02

Receptor Information
>6koz Chain A (length=436) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSVGDSIFPSLGQRGLDVQHYDLHLTVPRPGEPHLSGDVTLTVGAREPLS
RIVLDLLGPRVSAAQWNGQRVRWVQTAQKVEVTLPRPLRPGETGRLRLIY
AGTPELSGDPGLPIRPGWQNEAGLSYSLSEPHGTRGFLPCNDHPSDPATF
TVRVTVPASASAAASGLFTTQTERNGLKTLTFTQRVPVPTYALGLIVGPL
ERRTAPDVQLGTQTVHRRDIYAAGLPAGTTVPEGETARMLRVLSDWFGPY
PDEVYGVALLPVRQLALETAGLTTMPATSNRERVRLHALAHQWFGDQVTL
ADWADTWLSEGFATYAELLWAESQGEDGQAMAADWYARLSVLPSRPLRAT
REEEIFDASAYFRGALALHALRLKVGDAAFGQFLHSYVKTFTGRPVSTTA
LLTLVKTQLGAEAEQTLRVWVEGRTLPPLPEPVGAP
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain6koz Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6koz Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		E165 A301 E345 Y396
Binding residue
(residue number reindexed from 1)		E130 A266 E310 Y361
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E303 H322 A323 H326 E345 E388 Y396
Catalytic site (residue number reindexed from 1) E268 H287 A288 H291 E310 E353 Y361
Enzyme Commision number 3.4.11.2: membrane alanyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6koz, PDBe:6koz, PDBj:6koz
PDBsum6koz
PubMed31923495
UniProtQ9RVZ5

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