Structure of PDB 6koy Chain B Binding Site BS01

Receptor Information
>6koy Chain B (length=432) 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
LLTLVKTQLGAEAEQTLRVWVEGRTLPPLPEP
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain6koy Chain B Residue 501 [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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PDB6koy Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		L147 I149 L163 E165 E303 H322 H326 E345 F391 Y396
Binding residue
(residue number reindexed from 1)		L112 I114 L128 E130 E268 H287 H291 E310 F356 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:6koy, PDBe:6koy, PDBj:6koy
PDBsum6koy
PubMed31923495
UniProtQ9RVZ5

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