Structure of PDB 1hp7 Chain A Binding Site BS03

Receptor Information
>1hp7 Chain A (length=376) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHPTFNKITPNLAEFAFSLYRQLAHQSNSTNIFFSPVSIATAFAMLSLGT
KGDTHDEILEGLNFNLTEIPEAQIHEGFQELLHTLNQPDSQLQLTTGNGL
FLSEGLKLVDKFLEDVKKLYHSEAFTVNFGDTEEAKKQINDYVEKGTQGK
IVDLVKELDRDTVFALVNYIFFKGKWERPFEVKDTEEEDFHVDQVTTVKV
PMMKRLGMFNIQHCKKLSSWVLLMKYLGNATAIFFLPDEGKLQHLENELT
HDIITKFLENEDRRSASLHLPKLSITGTYDLKSVLGQLGITKVFSNGADL
SGVTEEAPLKLSKAVHKAVLTIDEKGTEAAGAMFLEAIPMSIPPEVKFNK
PFVFLMIDQNTKSPLFMGKVVNPTQK
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 chain1hp7 Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hp7 A 2.1 A resolution structure of an uncleaved alpha(1)-antitrypsin shows variability of the reactive center and other loops.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S285 H287 E363
Binding residue
(residue number reindexed from 1)		S267 H269 E345
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0002020 protease binding
GO:0004867 serine-type endopeptidase inhibitor activity
GO:0005515 protein binding
GO:0042802 identical protein binding
Biological Process
GO:0006953 acute-phase response
GO:0007596 blood coagulation
GO:0010466 negative regulation of peptidase activity
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005783 endoplasmic reticulum
GO:0005788 endoplasmic reticulum lumen
GO:0005794 Golgi apparatus
GO:0030134 COPII-coated ER to Golgi transport vesicle
GO:0031093 platelet alpha granule lumen
GO:0033116 endoplasmic reticulum-Golgi intermediate compartment membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1hp7, PDBe:1hp7, PDBj:1hp7
PDBsum1hp7
PubMed11178897
UniProtP01009|A1AT_HUMAN Alpha-1-antitrypsin (Gene Name=SERPINA1)

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