MolNFT v1 · #149906 · protein

Structure of cuta from synechococcus elongatus PCC7942 complexed with 3 molecules of bis-tris

6GDX · Periplasmic divalent cation tolerance protein: “Structure of cuta from synechococcus elongatus PCC7942 complexed with 3 molecules of bis-tris”. X-ray diffraction, 4 pockets (best druggability 0.86). MolNFT v1 #149906 on GenesisL1…

PDB: 6GDX
Type: protein
Length: 323 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Periplasmic divalent cation tolerance protein
UniProt: Q31KX8
Pockets: 4 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Periplasmic divalent cation tolerance protein	protein	107	35% helix, 42% strand	Q31KX8
B	Periplasmic divalent cation tolerance protein	protein	108	34% helix, 42% strand	Q31KX8
C	Periplasmic divalent cation tolerance protein	protein	108	33% helix, 42% strand	Q31KX8

Ligands and binding sites

BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 3 copies · chains A, C, B

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

Pockets

4 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	342	0.86	0.95	36	empty
2	113	0.60	0.85	14	BTB
3	154	0.58	0.82	18	BTB
4	129	0.56	0.83	20	BTB

Interfaces

3 interfaces between chains.

B–C · 1167 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 1147 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 1088 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6GDX · Structure of CutA from Synechococcus elongatus PCC7942 complexed with 3 molecules of… · 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 Q31KX8
Elsewhere: RCSB PDB 6GDX · PDBe 6GDX · UniProt Q31KX8

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