Structure of PDB 7q49 Chain A Binding Site BS01

Receptor Information
>7q49 Chain A (length=616) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDPGLQPGNFSADEAGAQLFAQSYNSSAEQVLFQSVAASWAHDTNITAEN
ARRQEEAALLSQEFAEAWGQKAKELYEPIWQNFTDPQLRRIIGAVRTLGS
ANLPLAKRQQYNALLSNMSRIYSTAKVCLPNKTATCWSLDPDLTNILASS
RSYAMLLFAWEGWHNAAGIPLKPLYEDFTALSNEAYKQDGFTDTGAYWRS
WYNSPTFEDDLEHLYQQLEPLYLNLHAFVRRALHRRYGDRYINLRGPIPA
HLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMLQQGWNATHMFRVAEEF
FTSLELSPMPPEFWEGSMLEKPADGREVVCHASAWDFYNRKDFRIKQCTR
VTMDQLSTVHHEMGHIQYYLQYKDLPVSLRRGANPGFHEAIGDVLALSVS
TPEHLHKIGLLDRVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVF
SGRTPPSRYNFDWWYLRTKYQGICPPVTRNETHFDAGAKFHVPNVTPYIR
YFVSFVLQFQFHEALCKEAGYEGPLHQCDIYRSTKAGAKLRKVLQAGSSR
PWQEVLKDMVGLDALDAQPLLKYFQLVTQWLQEQNQQNGEVLGWPEYQWH
PPLPDNYPEGIDLVTD
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 chain7q49 Chain A Residue 1301 [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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PDB7q49 Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Resolution3.72 Å
Binding residue
(original residue number in PDB)		H361 H365 E389
Binding residue
(residue number reindexed from 1)		H361 H365 E389
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.15.1: peptidyl-dipeptidase A.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004180 carboxypeptidase activity
GO:0004222 metalloendopeptidase activity
GO:0005516 calmodulin binding
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0008238 exopeptidase activity
GO:0008240 tripeptidyl-peptidase activity
GO:0008241 peptidyl-dipeptidase activity
GO:0008270 zinc ion binding
GO:0031404 chloride ion binding
GO:0031434 mitogen-activated protein kinase kinase binding
GO:0031711 bradykinin receptor binding
GO:0046872 metal ion binding
GO:0051019 mitogen-activated protein kinase binding
GO:0070573 metallodipeptidase activity
GO:1901363 heterocyclic compound binding
Biological Process
GO:0001666 response to hypoxia
GO:0001822 kidney development
GO:0001974 blood vessel remodeling
GO:0002003 angiotensin maturation
GO:0002019 regulation of renal output by angiotensin
GO:0002446 neutrophil mediated immunity
GO:0002474 antigen processing and presentation of peptide antigen via MHC class I
GO:0003081 regulation of systemic arterial blood pressure by renin-angiotensin
GO:0003084 positive regulation of systemic arterial blood pressure
GO:0006508 proteolysis
GO:0006518 peptide metabolic process
GO:0007283 spermatogenesis
GO:0007565 female pregnancy
GO:0008217 regulation of blood pressure
GO:0008584 male gonad development
GO:0009410 response to xenobiotic stimulus
GO:0009792 embryo development ending in birth or egg hatching
GO:0010608 post-transcriptional regulation of gene expression
GO:0010629 negative regulation of gene expression
GO:0010814 substance P catabolic process
GO:0010815 bradykinin catabolic process
GO:0014910 regulation of smooth muscle cell migration
GO:0019229 regulation of vasoconstriction
GO:0030324 lung development
GO:0031100 animal organ regeneration
GO:0031667 response to nutrient levels
GO:0032496 response to lipopolysaccharide
GO:0032943 mononuclear cell proliferation
GO:0034616 response to laminar fluid shear stress
GO:0038166 angiotensin-activated signaling pathway
GO:0042310 vasoconstriction
GO:0042445 hormone metabolic process
GO:0042447 hormone catabolic process
GO:0042755 eating behavior
GO:0043065 positive regulation of apoptotic process
GO:0043171 peptide catabolic process
GO:0045777 positive regulation of blood pressure
GO:0045907 positive regulation of vasoconstriction
GO:0046325 negative regulation of D-glucose import
GO:0048167 regulation of synaptic plasticity
GO:0048286 lung alveolus development
GO:0050435 amyloid-beta metabolic process
GO:0050482 arachidonate secretion
GO:0050769 positive regulation of neurogenesis
GO:0060047 heart contraction
GO:0060177 regulation of angiotensin metabolic process
GO:0060218 hematopoietic stem cell differentiation
GO:0060978 angiogenesis involved in coronary vascular morphogenesis
GO:0071333 cellular response to glucose stimulus
GO:0071548 response to dexamethasone
GO:0071838 cell proliferation in bone marrow
GO:0086091 regulation of heart rate by cardiac conduction
GO:0090281 negative regulation of calcium ion import
GO:0097066 response to thyroid hormone
GO:0097746 blood vessel diameter maintenance
GO:1902033 regulation of hematopoietic stem cell proliferation
GO:1903597 negative regulation of gap junction assembly
GO:1904045 cellular response to aldosterone
GO:2000170 positive regulation of peptidyl-cysteine S-nitrosylation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0009897 external side of plasma membrane
GO:0009925 basal plasma membrane
GO:0016020 membrane
GO:0031526 brush border membrane
GO:0031982 vesicle
GO:0070062 extracellular exosome
GO:0097225 sperm midpiece

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7q49, PDBe:7q49, PDBj:7q49
PDBsum7q49
PubMed35818993
UniProtP12821|ACE_HUMAN Angiotensin-converting enzyme (Gene Name=ACE)

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