MolNFT v1 · #53759 · protein

Crystal structure of the hypothetical protein SSO2273 from sulfolobus solfataricus

2X4H: “Crystal structure of the hypothetical protein SSO2273 from sulfolobus solfataricus”. X-ray diffraction, 1 ligand (ZN), 8 pockets (best druggability 0.77). MolNFT v1 #53759 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2X4H
Type: protein
Length: 519 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein SSO2273
UniProt: Q97WF3
Ligands: ZN
Pockets: 8 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 63% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Hypothetical protein SSO2273	protein	129	64% helix, 9% strand	Q97WF3
B	Hypothetical protein SSO2273	protein	130	63% helix, 8% strand	Q97WF3
C	Hypothetical protein SSO2273	protein	131	62% helix, 8% strand	Q97WF3

Ligands and binding sites

ZN · Zinc ion · metal · 14 copies · chains A, C, B, D

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

Pockets

8 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	70	0.77	0.98	17	empty
2	55	0.76	0.99	17	empty
3	212	0.52	0.77	28	empty
4	258	0.50	0.75	32	empty
5	71	0.46	0.82	19	empty

Interfaces

5 interfaces between chains.

C–D · 874 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 829 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 594 Å² buried · 14 hydrogen bonds · protein-protein
B–D · 278 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 130 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

2X4H · Crystal Structure of the hypothetical protein SSo2273 from Sulfolobus solfataricus · 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 Q97WF3
Elsewhere: RCSB PDB 2X4H · PDBe 2X4H · UniProt Q97WF3

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