MolNFT v1 · #109213 · protein

Truncated ftsh from a. aeolicus

4WW0 · ATP-dependent zinc metalloprotease ftsh: “Truncated ftsh from a. aeolicus”. X-ray diffraction, 2 ligands (ADP, ZN), 20 pockets (best druggability 0.78). MolNFT v1 #109213 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WW0
Type: protein
Length: 1,257 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP-dependent zinc metalloprotease ftsh
EC: 3.4.24.-
UniProt: O67077
Ligands: ADP, ZN
Pockets: 20 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 57% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP-dependent zinc metalloprotease ftsh (EC 3.4.24.-)	protein	420	56% helix, 9% strand	O67077
B	ATP-dependent zinc metalloprotease ftsh (EC 3.4.24.-)	protein	425	56% helix, 9% strand	O67077
C	ATP-dependent zinc metalloprotease ftsh (EC 3.4.24.-)	protein	412	58% helix, 9% strand	O67077

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
ZN · Zinc ion · metal · 3 copies · chains A, B, C

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	443	0.78	0.86	60	ZN
2	233	0.73	0.88	53	ADP
3	313	0.66	0.81	49	ZN
4	116	0.61	0.87	27	empty
5	115	0.58	0.85	25	ADP

Interfaces

2 interfaces between chains.

B–C · 2216 Å² buried · 37 hydrogen bonds · protein-protein
A–C · 1978 Å² buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

4WW0 · Truncated FtsH from A. aeolicus · the same entry in another collection · chain A against A, TM-score 1.00
O67077 · AlphaFold monomer V2.0 prediction for ATP-dependent zinc metalloprotease ftsh (O67077) · a predicted model of the same protein · chain A against A, TM-score 0.62

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 O67077
Elsewhere: RCSB PDB 4WW0 · PDBe 4WW0 · UniProt O67077

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