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SMTL ID : 3ayu.1

Crystal structure of MMP-2 active site mutant in complex with APP-drived decapeptide inhibitor

Coordinates

PDB Format Compare

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

hetero-1-1-mer

Ligands

2 xZN:ZINC ION(Non-covalent)

ZN.1: 4 residues within 4Å: Chain A:H.120,H.124,H.130 Chain B:D.6 5PLIP interactions: 3 interactions with chain A,2 interactions with chain B Metal complexes:A:H.120,A:H.124,A:H.130,B:D.6,B:D.6 ZN.2: 4 residues within 4Å: Chain A:H.69,D.71,H.84,H.97 4PLIP interactions: 4 interactions with chain A Metal complexes:A:H.69,A:D.71,A:H.84,A:H.97

3 xCA:CALCIUM ION(Non-covalent)

CA.3: 6 residues within 4Å: Chain A:D.76,G.77,D.79,L.81,D.99,E.102 6PLIP interactions: 6 interactions with chain A Metal complexes:A:D.76,A:G.77,A:D.79,A:L.81,A:D.99,A:E.102 CA.4: 5 residues within 4Å: Chain A:D.59,G.91,V.92,G.93,D.95 6PLIP interactions: 4 interactions with chain A,2 Ligand-Water interactions Metal complexes:A:D.59,A:G.91,A:G.93,A:D.95,H2O.2,H2O.6 CA.5: 4 residues within 4Å: Chain A:T.23,D.25,D.100,E.102 5PLIP interactions: 4 interactions with chain A,1 Ligand-Water interactions Metal complexes:A:D.25,A:D.100,A:D.100,A:E.102,H2O.2

Links

RCSB  PDBe  PDBe-KB  PDBj  PDBsum  CATH  PLIP

Citation

Hashimoto, H. et al., Structural basis for matrix metalloproteinase-2 (MMP-2)-selective inhibitory action of {beta}-amyloid precursor protein-derived inhibitor. J.Biol.Chem. (2011)

Release Date

2011-08-03

Peptides

72 kDa type IV collagenase:A
Amyloid beta A4 protein:B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

72 kDa type IV collagenase

Amyloid beta A4 protein