Structure of PDB 6a8z Chain B Binding Site BS02

Receptor Information
>6a8z Chain B (length=431) 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
AGTPELSPGLPIRPGWQNEAGLSYSLSEPHGTRGFLPCNDHPSDPATFTV
RVTVPASASAAASGLFTTQTERNGLKTLTFTQRVPVPTYALGLIVGPLER
RTAPDVQLGTQTVHRRDIYAAGLPAGTTVPEGETARMLRVLSDWFGPYPD
EVYGVALLPVRQLALETAGLTTMPATSNRERVRLHELAHQWFGDQVTLAD
WADTWLSEGFATYAELLWAESQGEDGQAMAADWYARLSVLPSRPLRATRE
EEIFDASAYFRGALALHALRLKVGDAAFGQFLHSYVKTFTGRPVSTTALL
TLVKTQLGAEAEQTLRVWVEGRTLPPLPEPV
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain6a8z Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a8z Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain.
Resolution2.045 Å
Binding residue
(original residue number in PDB)		I149 E165 A301 E303 H322 H326 E345 Y396
Binding residue
(residue number reindexed from 1)		I112 E128 A264 E266 H285 H289 E308 Y359
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E303 H322 E323 H326 E345 E388 Y396
Catalytic site (residue number reindexed from 1) E266 H285 E286 H289 E308 E351 Y359
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:6a8z, PDBe:6a8z, PDBj:6a8z
PDBsum6a8z
PubMed31351924
UniProtQ9RVZ5

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