MolNFT v1 · #99224 · protein

Crystal structure determination of pseudomonas stutzeri endoglucanase CEL5A using a twinned data set

4LX4 · ENDOGLUCANASE(ENDO-1,4-beta-GLUCANASE)PROTEIN: “Crystal structure determination of pseudomonas stutzeri endoglucanase CEL5A using a twinned data set”. X-ray diffraction, 14 pockets (best druggability 0.82). MolNFT v1 #99224 on…

PDB: 4LX4
Type: protein
Length: 1,290 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ENDOGLUCANASE(ENDO-1,4-beta-GLUCANASE)PROTEIN
EC: 3.2.1.4
UniProt: A4VME5
Pockets: 14 · best druggability 0.82

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ENDOGLUCANASE(ENDO-1,4-beta-GLUCANASE)PROTEIN (EC 3.2.1.4)	protein	322	32% helix, 17% strand	A4VME5
B	ENDOGLUCANASE(ENDO-1,4-beta-GLUCANASE)PROTEIN (EC 3.2.1.4)	protein	328	34% helix, 17% strand	A4VME5
C	ENDOGLUCANASE(ENDO-1,4-beta-GLUCANASE)PROTEIN (EC 3.2.1.4)	protein	321	33% helix, 18% strand	A4VME5
D	ENDOGLUCANASE(ENDO-1,4-beta-GLUCANASE)PROTEIN (EC 3.2.1.4)	protein	319	33% helix, 17% strand	A4VME5

Ligands and binding sites

TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, B, C, D

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	956	0.82	0.84	91	empty
2	173	0.60	0.83	26	empty
3	203	0.56	0.79	45	TRS
4	260	0.55	0.77	42	TRS
5	217	0.55	0.78	43	TRS

Interfaces

5 interfaces between chains.

A–D · 462 Å² buried · 4 hydrogen bonds · protein-protein
C–D · 457 Å² buried · 4 hydrogen bonds · protein-protein
B–D · 389 Å² buried · 1 hydrogen bond · protein-protein
A–B · 281 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 243 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4LX4 · Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a… · 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 A4VME5
Elsewhere: RCSB PDB 4LX4 · PDBe 4LX4 · UniProt A4VME5

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