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Crystal structure of a human malic enzyme

Analyse Crystal structure of a human malic enzyme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2AW5
Type: protein
Length: 1,600 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NADP-dependent malic enzyme
EC: 1.1.1.40
UniProt: P48163
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 51% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NADP-dependent malic enzyme (EC 1.1.1.40)	protein	531	51% helix, 11% strand	P48163
B	NADP-dependent malic enzyme (EC 1.1.1.40)	protein	536	51% helix, 11% strand	P48163
C	NADP-dependent malic enzyme (EC 1.1.1.40)	protein	533	51% helix, 10% strand	P48163

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	167	0.80	0.96	25	empty
2	1184	0.79	0.81	119	empty
3	143	0.78	0.95	28	empty
4	336	0.78	0.88	38	empty
5	99	0.77	0.97	28	empty

Interfaces

2 interfaces between chains.

B–C · 2145 Å² buried · 27 hydrogen bonds · protein-protein
A–B · 325 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

2AW5 · Crystal structure of a human malic enzyme · the same entry in another collection · chain A against A, TM-score 1.00
P48163 · AlphaFold monomer V2.0 prediction for NADP-dependent malic enzyme (P48163) · a predicted model of the same protein · chain C against A, TM-score 0.99

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 P48163
Elsewhere: RCSB PDB 2AW5 · PDBe 2AW5 · UniProt P48163

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