MolNFT v1 · #150547 · protein

Molybdenum storage protein without polymolybdate clusters and ATP

6GWV · Molybdenum storage protein subunit beta: “Molybdenum storage protein without polymolybdate clusters and ATP”. X-ray diffraction, 3 ligands (ATP, SO4, CL), 20 pockets (best druggability 0.83). MolNFT v1 #150547 on GenesisL1: 3D…

PDB: 6GWV
Type: protein
Length: 4,608 residues
Chains: 18
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Molybdenum storage protein subunit beta; Molybdenum storage protein subunit alpha
UniProt: P84253, P84308
Ligands: ATP, SO4, CL
Pockets: 20 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, C, E, H, I, K, N, O, Q	Molybdenum storage protein subunit beta	protein	268	40% helix, 15% strand	P84253
A, D, F, G, J, L, M, P, R	Molybdenum storage protein subunit alpha	protein	244	43% helix, 16% strand	P84308

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, A, O, P
SO4 · Sulfate ion · ion · 10 copies · chains B, D, E, F, G, N, M, Q, R
CL · Chloride ion · ion · chains M, P, R

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1194	0.83	0.84	160	empty
2	882	0.82	0.84	103	empty
3	967	0.80	0.82	92	SO4
4	665	0.79	0.84	72	empty
5	266	0.77	0.90	39	SO4

Interfaces

45 interfaces between chains.

K–L · 2373 Å² buried · 19 hydrogen bonds · protein-protein
Q–R · 2356 Å² buried · 19 hydrogen bonds · protein-protein
N–M · 2346 Å² buried · 21 hydrogen bonds · protein-protein
C–D · 2316 Å² buried · 18 hydrogen bonds · protein-protein
B–A · 2297 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

6GWV · Molybdenum storage protein without polymolybdate clusters and ATP · the same entry in another collection · chain R against R, 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 P84253
Every structure of UniProt P84308
Elsewhere: RCSB PDB 6GWV · PDBe 6GWV · UniProt P84253 · UniProt P84308

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