MolNFT v1 · #108083 · protein

Crystal structure of CSM1 in T.ONNURINEUS

4UW2: “Crystal structure of CSM1 in T.ONNURINEUS”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #108083 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UW2
Type: protein
Length: 1,702 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CSM1
UniProt: B6YWB8
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 4 distinct chains · 40% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CSM1	protein	696	42% helix, 13% strand	B6YWB8
B	CSM1	protein	713	42% helix, 13% strand	B6YWB8
C	CSM1	protein	201	34% helix, 11% strand	B6YWB8
D	CSM1	protein	92	24% helix, 0% strand	B6YWB8

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	1064	0.84	0.85	114	empty
2	132	0.79	0.97	22	empty
3	690	0.77	0.82	59	empty
4	230	0.74	0.89	37	empty
5	74	0.71	0.96	18	empty

Interfaces

5 interfaces between chains.

A–B · 1123 Å² buried · 10 hydrogen bonds · protein-protein
B–D · 485 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 407 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 306 Å² buried · 4 hydrogen bonds · protein-protein
A–D · 292 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 modified (engineered).

Compared structures

4UW2 · Crystal structure of Csm1 in T.onnurineus · the same entry in another collection · chain D against D, TM-score 1.00
B6YWB8 · AlphaFold monomer V2.0 prediction for CRISPR system single-strand- specific… · a predicted model of the same protein · chain B against A, TM-score 0.98

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 B6YWB8
Elsewhere: RCSB PDB 4UW2 · PDBe 4UW2 · UniProt B6YWB8

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