Structure of PDB 6iff Chain B Binding Site BS02

Receptor Information
>6iff Chain B (length=429) 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
AGTPELSGLPIRPGWQNEAGLSYSLSEPHGTRGFLPCNDHPSDPATFTVR
VTVPASASAAASGLFTTQTERNGLKTLTFTQRVPVPTYALGLIVGPLERR
TAPDVQLGTQTVHRRDIYAAGLPAGTTVPEGETARMLRVLSDWFGPYPDE
VYGVALLPVRQLALETAGLTTMPATSNRERVRLHALAHQWFGDQVTLADW
ADTWLSEGFATYAELLWAESQGEDGQAMAADWYARLSVLPSRPLRATREE
EIFDASAYFRGALALHALRLKVGDAAFGQFLHSYVKTFTGRPVSTTALLT
LVKTQLGAEAEQTLRVWVEGRTLPPLPEP
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 chain6iff 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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PDB6iff Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		I149 E165 A301 E303 H322 H326 E345 Y396
Binding residue
(residue number reindexed from 1)		I111 E127 A263 E265 H284 H288 E307 Y358
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) E265 H284 A285 H288 E307 E350 Y358
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6iff, PDBe:6iff, PDBj:6iff
PDBsum6iff
PubMed31923495
UniProtQ9RVZ5

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