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Orthorhombic crystal structure of a native bcsrq complex crystallized in the presence of ADP

Analyse Orthorhombic crystal structure of a native bcsrq complex crystallized in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6YB5
Type: protein
Length: 555 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacterial cellulose secretion regulator bcsq; Bacterial cellulose secretion regulator bcsr
UniProt: A0A0B1KWQ0, J7QAC9
Ligands: ATP, MG
Pockets: 4 · best druggability 0.90

Structure

x-ray diffraction · 4 distinct chains · 47% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Bacterial cellulose secretion regulator bcsq	protein	243	43% helix, 16% strand	A0A0B1KWQ0
C	Bacterial cellulose secretion regulator bcsr	protein	26	88% helix, 0% strand	J7QAC9
D	Bacterial cellulose secretion regulator bcsr	protein	35	54% helix, 3% strand	J7QAC9
H	Bacterial cellulose secretion regulator bcsq	protein	8	0% helix, 0% strand	A0A0B1KWQ0

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1101	0.90	0.92	118	MG, ATP
2	118	0.36	0.73	24	empty
3	98	0.33	0.73	23	empty
4	50	0.31	0.77	13	empty

Interfaces

6 interfaces between chains.

A–B · 1590 Å² buried · 18 hydrogen bonds · protein-protein
A–D · 795 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 539 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 360 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 343 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6YB5 · Orthorhombic crystal structure of a native BcsRQ complex crystallized in the presence of… · 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 A0A0B1KWQ0
Every structure of UniProt J7QAC9
Elsewhere: RCSB PDB 6YB5 · PDBe 6YB5 · UniProt A0A0B1KWQ0 · UniProt J7QAC9

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