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Ccaat-binding complex and hapx bound to aspergillus fumigatus ccca DNA

Analyse Ccaat-binding complex and hapx bound to aspergillus fumigatus ccca DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7AW9
Type: protein + DNA
Length: 498 residues
Chains: 7
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hapb; Transcription factor hapc (eurofung); CBFD_NFYB_HMF domain-containing protein; Bzip…
UniProt: G5EAZ0, Q5B5Z6, Q5AYY8, G5EAX9
Ligands: CL
Pockets: 8 · best druggability 0.78

Structure

x-ray diffraction · 7 distinct chains · 70% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hapb	protein	56	54% helix, 4% strand	G5EAZ0
B	Transcription factor hapc (eurofung)	protein	92	74% helix, 2% strand	Q5B5Z6
C	CBFD_NFYB_HMF domain-containing protein	protein	118	58% helix, 2% strand	Q5AYY8
D	Bzip domain-containing protein	protein	93	72% helix, 0% strand	G5EAX9
E	Bzip domain-containing protein	protein	65	97% helix, 0% strand	G5EAX9
F	DNA	dna	37	—	—
G	DNA	dna	37	—	—

Ligands and binding sites

CL · Chloride ion · ion · chains B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1075	0.78	0.80	91	empty
2	685	0.71	0.78	48	empty
3	631	0.67	0.76	31	empty
4	154	0.51	0.78	27	CL
5	165	0.47	0.77	18	empty

Interfaces

18 interfaces between chains.

B–C · 2972 Å² buried · 24 hydrogen bonds · protein-protein
F–G · 1602 Å² buried · 150 hydrogen bonds · nucleic-nucleic
D–E · 1190 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 819 Å² buried · 18 hydrogen bonds · protein-protein
D–F · 678 Å² buried · 10 hydrogen bonds · protein-nucleic

Compared structures

7AW9 · CCAAT-binding complex and HapX bound to Aspergillus fumigatus cccA DNA · 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 G5EAZ0
Every structure of UniProt Q5B5Z6
Every structure of UniProt Q5AYY8
Every structure of UniProt G5EAX9
Elsewhere: RCSB PDB 7AW9 · PDBe 7AW9 · UniProt G5EAZ0 · UniProt Q5B5Z6 · UniProt Q5AYY8 · UniProt G5EAX9

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