MolNFT v1 · #187256 · protein

Complex structure of methane monooxygenase hydroxylase and regulatory subunit H33A

7S6T · Methane monooxygenase component a alpha chain: “Complex structure of methane monooxygenase hydroxylase and regulatory subunit H33A”. X-ray diffraction, 2 ligands (BEZ, FE), 20 pockets (best druggability 0.86). MolNFT v1 #187256 on…

PDB: 7S6T
Type: protein
Length: 2,417 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methane monooxygenase component a alpha chain; Methane monooxygenase beta chain; Methane…
UniProt: A0A2D2D5X0, A0A2D2D5X7, A0A2D2D0T0, A0A2D2D0T8
Ligands: BEZ, FE
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 5 distinct chains · 58% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Methane monooxygenase component a alpha chain	protein	515	61% helix, 4% strand	A0A2D2D5X0
B, F	Methane monooxygenase beta chain	protein	392	65% helix, 1% strand	A0A2D2D5X7
C, G	Methane monooxygenase gamma chain	protein	168	63% helix, 4% strand	A0A2D2D0T0
D	Methane monooxygenase regulatory protein B	protein	131	40% helix, 31% strand	A0A2D2D0T8
H	Methane monooxygenase regulatory protein B	protein	136	38% helix, 28% strand	A0A2D2D0T8

Ligands and binding sites

BEZ · Benzoic acid · ligand · 2 copies · chains A, E
FE · Fe (III) ion · metal · 4 copies · chains A, E
EDO · 1,2-ethanediol · additive · 50 copies · chains A, D, B, C, E, F, H, G

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	811	0.86	0.89	75	EDO
2	147	0.82	0.98	36	EDO
3	146	0.81	0.97	32	EDO
4	103	0.79	0.98	23	empty
5	101	0.78	0.98	25	empty

Interfaces

18 interfaces between chains.

A–B · 5399 Å² buried · 94 hydrogen bonds · protein-protein
E–F · 5378 Å² buried · 90 hydrogen bonds · protein-protein
A–D · 2717 Å² buried · 41 hydrogen bonds · protein-protein
E–H · 2714 Å² buried · 40 hydrogen bonds · protein-protein
E–G · 2214 Å² buried · 36 hydrogen bonds · protein-protein

Compared structures

7S6T · Complex structure of Methane monooxygenase hydroxylase and regulatory subunit H33A · 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
Every structure of UniProt A0A2D2D5X0
Every structure of UniProt A0A2D2D5X7
Every structure of UniProt A0A2D2D0T0
Every structure of UniProt A0A2D2D0T8
Elsewhere: RCSB PDB 7S6T · PDBe 7S6T · UniProt A0A2D2D5X0 · UniProt A0A2D2D5X7 · UniProt A0A2D2D0T0 · UniProt A0A2D2D0T8

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