MolNFT v1 · #110806 · protein

Crystal structure of the cfem protein CSA2

4Y7S · Surface antigen protein 2: “Crystal structure of the cfem protein CSA2”. X-ray diffraction, 2 ligands (HEB, CL), 5 pockets (best druggability 0.70). MolNFT v1 #110806 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4Y7S
Type: protein
Length: 332 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Surface antigen protein 2
UniProt: Q5A0X8
Ligands: HEB, CL
Pockets: 5 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 55% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Surface antigen protein 2	protein	111	57% helix, 0% strand	Q5A0X8
C	Surface antigen protein 2	protein	110	53% helix, 0% strand	Q5A0X8

Ligands and binding sites

HEB · Heme B/C · ligand · 3 copies · chains A, B, C
CL · Chloride ion · ion · chains A, B
EDO · 1,2-ethanediol · additive · chains B

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	387	0.70	0.81	50	HEB, CL
2	213	0.68	0.85	33	empty
3	177	0.58	0.81	31	HEB
4	141	0.53	0.80	19	HEB
5	131	0.46	0.78	24	empty

Interfaces

3 interfaces between chains.

B–C · 524 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 520 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 253 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

4Y7S · Crystal Structure of the CFEM protein Csa2 · the same entry in another collection · chain A against A, TM-score 1.00
Q5A0X8 · AlphaFold monomer V2.0 prediction for secreted hemophore CSA2 (Q5A0X8) · a predicted model of the same protein · chain B 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 Q5A0X8
Elsewhere: RCSB PDB 4Y7S · PDBe 4Y7S · UniProt Q5A0X8

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