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Structure of siderophore interaction domain of irtab

Analyse Structure of siderophore interaction domain of irtab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6TEK
Type: protein
Length: 460 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Drug ABC transporter ATP-binding protein
UniProt: A0A100XEC2
Ligands: FAD
Pockets: 6 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Drug ABC transporter ATP-binding protein	protein	230	22% helix, 36% strand	A0A100XEC2

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

6 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	361	0.66	0.80	43	FAD
2	347	0.64	0.80	42	FAD
3	145	0.53	0.80	36	empty
4	98	0.35	0.74	25	empty
5	100	0.35	0.73	21	empty

Interfaces

1 interface between chains.

A–B · 522 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6TEK · Structure of siderophore interaction domain of IrtAB · 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 A0A100XEC2
Elsewhere: RCSB PDB 6TEK · PDBe 6TEK · UniProt A0A100XEC2

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