MolNFT v1 · #69300 · protein

Crystal structure of vset under condition a

3KMA · A612L protein: “Crystal structure of vset under condition a”. X-ray diffraction, 2 ligands (SO4, CL), 3 pockets (best druggability 0.48). MolNFT v1 #69300 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3KMA
Type: protein
Length: 210 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: A612L protein
UniProt: O41094
Ligands: SO4, CL
Pockets: 3 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	A612L protein	protein	105	3% helix, 48% strand	O41094

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B
CL · Chloride ion · ion · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

3 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	161	0.48	0.77	23	GOL
2	80	0.41	0.78	21	SO4
3	64	0.37	0.78	20	empty

Interfaces

1 interface between chains.

A–B · 996 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

3KMA · Crystal Structure of vSET under Condition A · 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 O41094
Elsewhere: RCSB PDB 3KMA · PDBe 3KMA · UniProt O41094

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