Structure of PDB 6tt1 Chain B Binding Site BS01

Receptor Information
>6tt1 Chain B (length=595) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDPGLQPGQFSADEAGAQLFAQSYQSSAEQVLFQSVAASWAHDTNITAEN
ARRQEEAALLSQEFAEAWGQKAKELYPQLRRIIGAVRTLGSANLPLAKRQ
QYNALLSQMSRIYSTAKVCLCWSLDPDLTNILASSRSYAMLLFAWEGWHN
AAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRSWYNSPTFEDDLEHLY
QQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPAHLLGDMWAQTWSNIY
DMVVPFPDKPNLDVTSTMLQQGWQATHMFRVAEEFFTSLELSPMPPEFWE
GSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMEQLVVVHHEMGH
IQYFLQYKDLPVSLREGANPGFHEAIGDVLALSVSTPEHLHKIGLLDRVT
NDTESDINYLLKMALDKIAFLPFGYLVDQWRWGVFSGRTPPSRYNFDWWY
LRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIRYFVSFVLQFQFHEAL
CKEAGYEGPLHQCDIYRSTKAGAKLRKVLRAGSSRPWQEVLKDMVGLDAL
DAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWHPPLPDNYPEG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6tt1 Chain B Residue 707 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tt1 ACE-domain selectivity extends beyond direct interacting residues at the active site.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H361 H365 E389
Binding residue
(residue number reindexed from 1)		H346 H350 E374
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H331 A332 H361 E362 H365 E389 H491 Y501
Catalytic site (residue number reindexed from 1) H316 A317 H346 E347 H350 E374 H476 Y486
Enzyme Commision number 3.4.15.1: peptidyl-dipeptidase A.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0008241 peptidyl-dipeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6tt1, PDBe:6tt1, PDBj:6tt1
PDBsum6tt1
PubMed32195541
UniProtP12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)

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