MolNFT v1 · #95534 · protein

MN(III)-ppix bound tt H-nox

4IT2 · Methyl-accepting chemotaxis protein: “MN(III)-ppix bound tt H-nox”. X-ray diffraction, 1 ligand (MNH), 4 pockets (best druggability 0.81). MolNFT v1 #95534 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4IT2
Type: protein
Length: 369 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methyl-accepting chemotaxis protein
UniProt: Q8RBX6
Ligands: MNH
Pockets: 4 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methyl-accepting chemotaxis protein	protein	184	49% helix, 21% strand	Q8RBX6
B	Methyl-accepting chemotaxis protein	protein	185	50% helix, 20% strand	Q8RBX6

Ligands and binding sites

MNH · Manganese protoporphyrin IX · ligand · 3 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	456	0.81	0.88	40	MNH
2	457	0.79	0.86	37	MNH
3	792	0.70	0.76	73	empty
4	96	0.43	0.79	18	empty

Interfaces

1 interface between chains.

A–B · 410 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4IT2 · Mn(III)-PPIX bound Tt H-NOX · 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 Q8RBX6
Elsewhere: RCSB PDB 4IT2 · PDBe 4IT2 · UniProt Q8RBX6

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