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RNA polymerase II pre-initiation complex (PIC2)

Analyse RNA polymerase II pre-initiation complex (PIC2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7ML1
Type
protein + DNA
Length
8,311 residues
Chains
30
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TFB1; General transcription and DNA repair factor iih subunit TFB4; General transcription…
EC
3.6.4.12, 2.7.7.6
UniProt
A0A6A5Q1C1, A0A6A5Q2X3, Q3E7C1, Q00578, A0A7I9BTI9, P13393, A0A6A5Q1P2, A0A6A5Q4H2, A0A6A5Q0Z3, A0A6A5PTI6, A0A6A5Q456, A0A6L0ZRI7, A0A6A5Q270, A0A6A5Q8C2, A0A7I9EWC2, A0A6A5Q7Q6, A0A6A5Q7A1, A0A6A5PY05, P29055, P41895, A0A6A5PZ00, A0A6A5Q2T8, A0A6A5PRZ0, A0A6A5PTU5, A0A6A5PS93
Ligands
SF4, ZN, MG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 30 distinct chains · 38% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1TFB1protein36767% helix, 0% strand—
4General transcription and DNA repair factor iih subunit TFB4protein28437% helix, 14% strand—
0General transcription and DNA repair factor iih helicase subunit xpd (EC 3.6.4.12)protein75452% helix, 10% strandA0A6A5Q1C1
6General transcription and DNA repair factor iih subunit SSL1protein35130% helix, 13% strand—
2RNA polymerase II transcription factor B subunit 2protein46048% helix, 6% strandA0A6A5Q2X3
5General transcription and DNA repair factor iih subunit TFB5protein6641% helix, 9% strandQ3E7C1
7General transcription and DNA repair factor iih helicase subunit xpb (EC 3.6.4.12)protein63435% helix, 10% strandQ00578
3BJ4_G0050160.MRNA.1.CDS.1protein13844% helix, 4% strandA0A7I9BTI9
OTata-box-binding proteinprotein18027% helix, 41% strandP13393
NNon-template strand DNAdna57——
TTemplate strand DNAdna57——
ADNA-directed RNA polymerase subunit (EC 2.7.7.6)protein139842% helix, 15% strandA0A6A5Q1P2
BDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein114729% helix, 23% strandA0A6A5Q4H2
CDNA-directed RNA polymerase II subunit RPB3protein26223% helix, 26% strandA0A6A5Q0Z3
DDNA-directed RNA polymerase II subunit RPB4protein15759% helix, 3% strandA0A6A5PTI6
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21340% helix, 20% strandA0A6A5Q456
FDNA-directed RNA polymerases I,II,AND III subunit RPABC2protein8340% helix, 18% strandA0A6L0ZRI7
GDNA-directed RNA polymerase II subunit RPB7protein1719% helix, 50% strandA0A6A5Q270
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1363% helix, 39% strandA0A6A5Q8C2
IDNA-directed RNA polymerase II subunit RPB9protein1163% helix, 31% strandA0A7I9EWC2
JDNA-directed RNA polymerases II subunit RPABC5protein6548% helix, 2% strandA0A6A5Q7Q6
KDNA-directed RNA polymerase II subunit RPB11protein11240% helix, 22% strandA0A6A5Q7A1
LDNA-directed RNA polymerases II subunit RPABC4protein450% helix, 24% strandA0A6A5PY05
MTranscription initiation factor iibprotein27949% helix, 4% strandP29055
QTranscription initiation factor iif subunit alphaprotein14818% helix, 26% strandP41895
RTranscription initiation factor iif subunit betaprotein19028% helix, 23% strandA0A6A5PZ00
UTranscription initiation factor iia large subunitprotein440% helix, 82% strandA0A6A5Q2T8
VTranscription initiation factor iia subunit 2protein500% helix, 78% strandA0A6A5PRZ0
WTranscription initiation factor iie subunit alphaprotein19154% helix, 12% strandA0A6A5PTU5
XTranscription initiation factor iie subunit betaprotein15646% helix, 1% strandA0A6A5PS93

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains 0
  • ZN · Zinc ion · metal · 19 copies · chains 4, 6, 3, A, B, C, I, J, L, M, W, X
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110940.860.87131empty
29990.850.86117empty
39020.850.8793empty
411710.850.86140empty
57850.840.8791empty

Interfaces

75 interfaces between chains.

  • A–B · 9408 Ų buried · 116 hydrogen bonds · protein-protein
  • N–T · 2689 Ų buried · 265 hydrogen bonds · nucleic-nucleic
  • A–M · 2147 Ų buried · 27 hydrogen bonds · protein-protein
  • A–E · 2137 Ų buried · 26 hydrogen bonds · protein-protein
  • 1–0 · 2082 Ų buried · 27 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

  • 7ML1 · RNA polymerase II pre-initiation complex (PIC2) · the same entry in another collection · chain T against T, TM-score 1.00

Analyse

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