Structure of PDB 1ck7 Chain A Binding Site BS05

Receptor Information
>1ck7 Chain A (length=619) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSPIIKFPGDVAPKTDKELAVQYLNTFYGCPKESCNLFVLKDTLKKMQKF
FGLPQTGDLDQNTIETMRKPRCGNPDVANYNFFPRKPKWDKNQITYRIIG
YTPDLDPETVDDAFARAFQVWSDVTPLRFSRIHDGEADIMINFGRWEHGD
GYPFDGKDGLLAHAFAPGTGVGGDSHFDDDELWTLGEGQVVRVKYGNADG
EYCKFPFLFNGKEYNSCTDTGRSDGFLWCSTTYNFEKDGKYGFCPHEALF
TMGGNAEGQPCKFPFRFQGTSYDSCTTEGRTDGYRWCGTTEDYDRDKKYG
FCPETAMSTVGGNSEGAPCVFPFTFLGNKYESCTSAGRSDGKMWCATTAN
YDDDRKWGFCPDQGYSLFLVAAHAFGHAMGLEHSQDPGALMAPIYTYTKN
FRLSQDDIKGIQELYGASPLGPVTPEICKQDIVFDGIAQIRGEIFFFKDR
FIWRTVTPRDKPMGPLLVATFWPELPEKIDAVYEAPQEEKAVFFAGNEYW
IYSASTLERGYPKPLTSLGLPPDVQRVDAAFNWSKNKKTYIFAGDKFWRY
NEVKKKMDPGFPKLIADAWNAIPDNLDAVVDLQGGGHSYFFKGAYYLKLE
NQSLKSVKFGSIKSDWLGC
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1ck7 Chain A Residue 994 [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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PDB1ck7 Structure of human pro-matrix metalloproteinase-2: activation mechanism revealed.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D476 D521 D569 D618
Binding residue
(residue number reindexed from 1)		D435 D480 D528 D577
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H403 A404 H407 H413
Catalytic site (residue number reindexed from 1) H373 A374 H377 H383
Enzyme Commision number 3.4.24.24: gelatinase A.
Gene Ontology
Molecular Function
GO:0001968 fibronectin binding
GO:0004175 endopeptidase activity
GO:0004222 metalloendopeptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0001525 angiogenesis
GO:0001541 ovarian follicle development
GO:0001542 ovulation from ovarian follicle
GO:0001553 luteinization
GO:0001666 response to hypoxia
GO:0001955 blood vessel maturation
GO:0001957 intramembranous ossification
GO:0006508 proteolysis
GO:0006979 response to oxidative stress
GO:0007162 negative regulation of cell adhesion
GO:0007507 heart development
GO:0007565 female pregnancy
GO:0007566 embryo implantation
GO:0007567 parturition
GO:0009410 response to xenobiotic stimulus
GO:0009612 response to mechanical stimulus
GO:0014012 peripheral nervous system axon regeneration
GO:0014823 response to activity
GO:0016477 cell migration
GO:0022617 extracellular matrix disassembly
GO:0030163 protein catabolic process
GO:0030198 extracellular matrix organization
GO:0030335 positive regulation of cell migration
GO:0030574 collagen catabolic process
GO:0032526 response to retinoic acid
GO:0034097 response to cytokine
GO:0034614 cellular response to reactive oxygen species
GO:0035094 response to nicotine
GO:0035987 endodermal cell differentiation
GO:0042542 response to hydrogen peroxide
GO:0043065 positive regulation of apoptotic process
GO:0043627 response to estrogen
GO:0045906 negative regulation of vasoconstriction
GO:0048013 ephrin receptor signaling pathway
GO:0048246 macrophage chemotaxis
GO:0048661 positive regulation of smooth muscle cell proliferation
GO:0048705 skeletal system morphogenesis
GO:0048771 tissue remodeling
GO:0051602 response to electrical stimulus
GO:0055093 response to hyperoxia
GO:0060325 face morphogenesis
GO:0060346 bone trabecula formation
GO:0060740 prostate gland epithelium morphogenesis
GO:0071230 cellular response to amino acid stimulus
GO:0071345 cellular response to cytokine stimulus
GO:0071347 cellular response to interleukin-1
GO:0071392 cellular response to estradiol stimulus
GO:0071492 cellular response to UV-A
GO:0071498 cellular response to fluid shear stress
GO:1903378 positive regulation of oxidative stress-induced neuron intrinsic apoptotic signaling pathway
GO:1904645 response to amyloid-beta
GO:1904707 positive regulation of vascular associated smooth muscle cell proliferation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030017 sarcomere
GO:0031012 extracellular matrix
GO:0062023 collagen-containing extracellular matrix

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ck7, PDBe:1ck7, PDBj:1ck7
PDBsum1ck7
PubMed10356396
UniProtP08253|MMP2_HUMAN 72 kDa type IV collagenase (Gene Name=MMP2)

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