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Crystal structure of SSO0001

Analyse Crystal structure of SSO0001 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4IC1
Type: protein
Length: 2,027 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: Q97TX9
Ligands: SF4, MN
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 44% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, K	Uncharacterized protein	protein	202	45% helix, 25% strand	Q97TX9
B, F, H	Uncharacterized protein	protein	203	45% helix, 26% strand	Q97TX9
D	Uncharacterized protein	protein	206	43% helix, 24% strand	Q97TX9
G, I, J	Uncharacterized protein	protein	202	44% helix, 25% strand	Q97TX9

Ligands and binding sites

SF4 · Iron/sulfur cluster · ligand · 10 copies · chains A, B, C, D, F, G, H, I, J, K
MN · Manganese (II) ion · metal · 10 copies · chains A, B, C, D, F, G, H, I, J, K

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1042	0.80	0.81	66	empty
2	687	0.78	0.83	66	empty
3	1140	0.77	0.79	77	empty
4	638	0.77	0.82	67	empty
5	585	0.76	0.82	64	empty

Interfaces

20 interfaces between chains.

H–I · 1715 Å² buried · 17 hydrogen bonds · protein-protein
A–D · 1712 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 1677 Å² buried · 18 hydrogen bonds · protein-protein
J–K · 1670 Å² buried · 17 hydrogen bonds · protein-protein
F–G · 1639 Å² buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 modified (engineered).

Compared structures

4IC1 · Crystal structure of SSO0001 · the same entry in another collection · chain K against K, TM-score 1.00
Q97TX9 · AlphaFold monomer V2.0 prediction for CRISPR-associated exonuclease CAS4 (Q97TX9) · a predicted model of the same protein · chain J against A, TM-score 0.97

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 Q97TX9
Elsewhere: RCSB PDB 4IC1 · PDBe 4IC1 · UniProt Q97TX9

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