MolNFT v1 · #30517 · protein

Carboxysome shell protein CCMK2

2A1B · Carbon dioxide concentrating mechanism protein ccmk homolog…: “Carboxysome shell protein CCMK2”. X-ray diffraction, 9 pockets (best druggability 0.57). MolNFT v1 #30517 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2A1B
Type: protein
Length: 1,212 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carbon dioxide concentrating mechanism protein ccmk homolog 2
UniProt: P72761
Pockets: 9 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L	Carbon dioxide concentrating mechanism protein ccmk homolog 2	protein	101	37% helix, 30% strand	P72761

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	366	0.57	0.75	52	empty
2	222	0.51	0.76	37	empty
3	201	0.47	0.75	38	empty
4	192	0.46	0.75	30	empty
5	146	0.43	0.76	23	empty

Interfaces

12 interfaces between chains.

J–K · 1178 Å² buried · 16 hydrogen bonds · protein-protein
I–J · 1169 Å² buried · 14 hydrogen bonds · protein-protein
G–H · 1161 Å² buried · 16 hydrogen bonds · protein-protein
D–E · 1159 Å² buried · 17 hydrogen bonds · protein-protein
E–F · 1153 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

2A1B · Carboxysome shell protein ccmK2 · the same entry in another collection · chain L against L, 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 P72761
Elsewhere: RCSB PDB 2A1B · PDBe 2A1B · UniProt P72761

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