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X-ray crystal structure of protein PFL_3262 from pseudomonas fluorescens. northeast structural genomics consortium target PLR14.

Analyse X-ray crystal structure of protein PFL_3262 from pseudomonas fluorescens.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2IMJ
Type: protein
Length: 622 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein DUF1348
UniProt: Q4KBL6
Pockets: 13 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 25% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical protein DUF1348	protein	158	26% helix, 39% strand	Q4KBL6
B	Hypothetical protein DUF1348	protein	156	26% helix, 39% strand	Q4KBL6
C	Hypothetical protein DUF1348	protein	155	26% helix, 39% strand	Q4KBL6
D	Hypothetical protein DUF1348	protein	153	24% helix, 40% strand	Q4KBL6

Ligands and binding sites

ACT · Acetate ion · additive · 6 copies · chains A, B, D, C
EDO · 1,2-ethanediol · additive · 2 copies · chains A, C, B

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

Pockets

13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	758	0.83	0.86	69	EDO
2	63	0.58	0.90	16	empty
3	80	0.57	0.87	17	empty
4	91	0.56	0.85	17	empty
5	81	0.56	0.86	16	empty

Interfaces

5 interfaces between chains.

A–B · 1487 Å² buried · 23 hydrogen bonds · protein-protein
C–D · 1266 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 576 Å² buried · 9 hydrogen bonds · protein-protein
A–D · 321 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 311 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

2IMJ · X-ray Crystal Structure of Protein PFL_3262 from Pseudomonas fluorescens. Northeast… · 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 Q4KBL6
Elsewhere: RCSB PDB 2IMJ · PDBe 2IMJ · UniProt Q4KBL6

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