MolNFT v1 · #82706 · protein

Crystal structure of deseasin mcp-01 from pseudoalteromonas sp. SM9913

3VV3: “Crystal structure of deseasin mcp-01 from pseudoalteromonas sp. SM9913”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.85). MolNFT v1 #82706 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3VV3
Type: protein
Length: 658 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Deseasin mcp-01
UniProt: E6RQT7
Ligands: CA
Pockets: 2 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Deseasin mcp-01	protein	329	25% helix, 17% strand	E6RQT7

Ligands and binding sites

CA · Calcium ion · metal · 8 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1109	0.85	0.86	92	empty
2	50	0.29	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 776 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3VV3 · Crystal structure of deseasin MCP-01 from Pseudoalteromonas sp. SM9913 · the same entry in another collection · chain A against A, TM-score 1.00

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 E6RQT7
Elsewhere: RCSB PDB 3VV3 · PDBe 3VV3 · UniProt E6RQT7

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