PDB entry 3kej
View 3kej on RCSB PDB site
Description: Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound
Class: hydrolase/hydrolase inhibitor
Keywords: S1' inhibitor, selective MMP-13 inhibitor, S1' specificity pocket, no contact to Zn, Collagen degradation, Disease mutation, Disulfide bond, Extracellular matrix, Glycoprotein, Hydrolase, Metal-binding, Metalloprotease, Protease, Secreted, Zymogen, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on
2009-10-26, released
2010-11-10
The last revision prior to the SCOPe 2.07 freeze date was dated
2010-11-10, with a file datestamp of
2010-11-05.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.186
AEROSPACI score: 0.38
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: collagenase 3
Species: Homo sapiens [TaxId:9606]
Gene: MMP13
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d3keja_ - Chain 'B':
Compound: collagenase 3
Species: Homo sapiens [TaxId:9606]
Gene: MMP13
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d3kejb_ - Heterogens: ZN, CA, 3EJ, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3kejA (A:)
ynvfprtlkwskmnltyrivnytpdmthsevekafkkafkvwsdvtplnftrlhdgiadi
misfgikehgdfypfdgpsgllahafppgpnyggdahfdddetwtssskgynlflvaahe
fghslgldhskdpgalmfpiytytgkshfmlpdddvqgiqslygpgd
Sequence, based on observed residues (ATOM records): (download)
>3kejA (A:)
ynvfprtlkwskmnltyrivnytpdmthsevekafkkafkvwsdvtplnftrlhdgiadi
misfgikehgdfypfdgpsgllahafppgpnyggdahfdddetwtssskgynlflvaahe
fghslgldhskdpgalmfpiytytgkshfmlpdddvqgiqsly
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3kejB (B:)
ynvfprtlkwskmnltyrivnytpdmthsevekafkkafkvwsdvtplnftrlhdgiadi
misfgikehgdfypfdgpsgllahafppgpnyggdahfdddetwtssskgynlflvaahe
fghslgldhskdpgalmfpiytytgkshfmlpdddvqgiqslygpgd
Sequence, based on observed residues (ATOM records): (download)
>3kejB (B:)
tlkwskmnltyrivnytpdmthsevekafkkafkvwsdvtplnftrlhdgiadimisfgi
kehgdfypfdgpsgllahafppgpnyggdahfdddetwtssskgynlflvaahefghslg
ldhskdpgalmfpiytytgkshfmlpdddvqgiqsly