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Directed evolutionary changes in kemp eliminase KE07 - crystal 24 round 7

Analyse Directed evolutionary changes in kemp eliminase KE07 - crystal 24 round 7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6CAI
Type: protein
Length: 511 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kemp eliminase KE07
Pockets: 6 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kemp eliminase KE07	protein	249	41% helix, 25% strand	—
B	Kemp eliminase KE07	protein	262	37% helix, 24% strand	—

Ligands and binding sites

TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	490	0.69	0.80	64	TRS
2	253	0.64	0.82	26	empty
3	303	0.52	0.74	37	empty
4	68	0.33	0.75	13	empty
5	62	0.32	0.76	14	empty

Interfaces

1 interface between chains.

A–B · 464 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6CAI · Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7 · 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
Elsewhere: RCSB PDB 6CAI · PDBe 6CAI

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