MolNFT v1 · #31547 · protein

Inhibitor-free catalytic fragment of human fibroblast collagenase, NMR, minimized average structure

2AYK: “Inhibitor-free catalytic fragment of human fibroblast collagenase, NMR, minimized average structure”. Solution nmr, 2 ligands (ZN, CA), 2 pockets (best druggability 0.49). MolNFT v1 #31547 on GenesisL1: 3D structure, binding sites…

PDB: 2AYK
Type: protein
Length: 157 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Collagenase
EC: 3.4.24.7
UniProt: P03956
Ligands: ZN, CA
Pockets: 2 · best druggability 0.49

Structure

solution nmr · 1 distinct chain · 24% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Collagenase (EC 3.4.24.7)	protein	157	24% helix, 16% strand	P03956

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A
CA · Calcium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	143	0.49	0.78	24	empty
2	55	0.28	0.74	18	empty

Compared structures

2AYK · Inhibitor-free catalytic fragment of human fibroblast collagenase, NMR, minimized average… · the same entry in another collection · chain A against A, TM-score 1.00
P03956 · AlphaFold monomer V2.0 prediction for interstitial collagenase (P03956) · a predicted model of the same protein · chain A against A, TM-score 0.93

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P03956
Elsewhere: RCSB PDB 2AYK · PDBe 2AYK · UniProt P03956

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