MolNFT v1 · #171991 · protein

Maeb full-length enzyme apoprotein form

6ZNJ · NADP-dependent malate DEHYDROGENASE,MALATE dehydrogenase: “Maeb full-length enzyme apoprotein form”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #171991 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6ZNJ
Type: protein
Length: 2,283 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NADP-dependent malate DEHYDROGENASE,MALATE dehydrogenase
EC: 1.1.1.40
UniProt: Q6MM14, Q6MM15
Pockets: 20 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, C, A	NADP-dependent malate DEHYDROGENASE,MALATE dehydrogenase (EC 1.1.1.40)	protein	761	47% helix, 14% strand	Q6MM14, Q6MM15

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1052	0.78	0.80	100	empty
2	724	0.75	0.80	64	empty
3	635	0.75	0.81	50	empty
4	256	0.74	0.87	30	empty
5	641	0.73	0.80	54	empty

Interfaces

3 interfaces between chains.

B–C · 5799 Å² buried · 56 hydrogen bonds · protein-protein
C–A · 433 Å² buried · 13 hydrogen bonds · protein-protein
B–A · 340 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

6ZNJ · MaeB full-length enzyme apoprotein form · the same entry in another collection · chain B against B, 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 Q6MM14
Every structure of UniProt Q6MM15
Elsewhere: RCSB PDB 6ZNJ · PDBe 6ZNJ · UniProt Q6MM14 · UniProt Q6MM15

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