MolNFT v1 · #79567 · protein + DNA

PHOB(E)-SIGMA70(4)-(rnap-betha-flap-tip-helix)-DNA transcription activation sub-complex

3T72 · Phosphate regulon transcriptional regulatory protein phob: “PHOB(E)-SIGMA70(4)-(rnap-betha-flap-tip-helix)-DNA transcription activation sub-complex”. X-ray diffraction, 20 pockets (best druggability 0.56). MolNFT v1 #79567 on…

PDB: 3T72
Type: protein + DNA
Length: 3,258 residues
Chains: 50
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphate regulon transcriptional regulatory protein phob; Pho box DNA (strand 1); Pho…
EC: 2.7.7.6
UniProt: P0AFJ5, P00579, E8Y6A0
Pockets: 20 · best druggability 0.56

Structure

x-ray diffraction · 4 distinct chains · 0% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, E, F, I, J, M, N, R, S, V, W, Z, 1, 4, 5, 8, 9, c, d, g, h, k, l	Phosphate regulon transcriptional regulatory protein phob	protein	102	0% helix, 0% strand	P0AFJ5
C, G, K, O, T, X, 2, 6, a, e, i, m	Pho box DNA (strand 1)	dna	26	—	—
D, H, L, P, U, Y, 3, 7, b, f, j, n	Pho box DNA (strand 2)	dna	26	—	—
o, q	RNA polymerase sigma factor rpod, DNA-directed RNA polymerase subunit beta (EC 2.7.7.6)	protein	93	0% helix, 0% strand	P00579, E8Y6A0

Pockets

20 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	379	0.56	0.74	37	empty
2	263	0.51	0.74	30	empty
3	208	0.45	0.73	27	empty
4	186	0.44	0.73	28	empty
5	168	0.41	0.73	26	empty

Interfaces

82 interfaces between chains.

i–j · 1056 Å² buried · 91 hydrogen bonds · nucleic-nucleic
a–b · 1055 Å² buried · 93 hydrogen bonds · nucleic-nucleic
e–f · 1054 Å² buried · 93 hydrogen bonds · nucleic-nucleic
m–n · 1053 Å² buried · 93 hydrogen bonds · nucleic-nucleic
6–7 · 1051 Å² buried · 100 hydrogen bonds · nucleic-nucleic

Compared structures

3T72 · PhoB(E)-Sigma70(4)-(RNAP-Betha-flap-tip-helix)-DNA Transcription Activation Sub-Complex · the same entry in another collection · chain F against F, 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 P0AFJ5
Every structure of UniProt P00579
Every structure of UniProt E8Y6A0
Elsewhere: RCSB PDB 3T72 · PDBe 3T72 · UniProt P0AFJ5 · UniProt P00579 · UniProt E8Y6A0

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