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RNA polymerase II initially transcribing complex (itc)

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

PDB
7ML4
Type
protein + DNA + RNA
Length
8,119 residues
Chains
31
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription initiation factor iif subunit alpha; Transcription initiation factor iif…
EC
2.7.7.6, 3.6.4.12
UniProt
P41895, A0A6A5PZ00, A0A6A5PTI6, A0A6A5Q270, P29055, A0A6A5Q1P2, A0A6A5Q4H2, A0A6A5Q0Z3, A0A6A5Q456, A0A6L0ZRI7, A0A6A5Q8C2, A0A7I9EWC2, A0A6A5Q7Q6, A0A6A5Q7A1, A0A6A5PY05, A0A7I9BTI9, A0A6A5Q1C1, A0A7I9C5C2, A0A7I9FQL5, Q00578, Q3E7C1, A0A6A5Q2X3, A0A6A5PS93, A0A6A5Q2T8, A0A6A5PRZ0, P13393, A0A6A5PTU5
Ligands
SF4, ZN, MG
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 31 distinct chains · 38% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
QTranscription initiation factor iif subunit alphaprotein14819% helix, 21% strandP41895
RTranscription initiation factor iif subunit betaprotein15431% helix, 29% strandA0A6A5PZ00
DDNA-directed RNA polymerase II subunit RPB4protein15760% helix, 3% strandA0A6A5PTI6
GDNA-directed RNA polymerase II subunit RPB7protein17111% helix, 44% strandA0A6A5Q270
MTranscription initiation factor iibprotein23456% helix, 6% strandP29055
ADNA-directed RNA polymerase subunit (EC 2.7.7.6)protein140540% helix, 14% strandA0A6A5Q1P2
BDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein111429% helix, 22% strandA0A6A5Q4H2
CDNA-directed RNA polymerase II subunit RPB3protein26626% helix, 27% strandA0A6A5Q0Z3
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21441% helix, 22% strandA0A6A5Q456
FDNA-directed RNA polymerases I,II,AND III subunit RPABC2protein8531% helix, 2% strandA0A6L0ZRI7
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1332% helix, 38% strandA0A6A5Q8C2
IDNA-directed RNA polymerase II subunit RPB9protein1193% helix, 24% strandA0A7I9EWC2
JDNA-directed RNA polymerases II subunit RPABC5protein6549% helix, 0% strandA0A6A5Q7Q6
KDNA-directed RNA polymerase II subunit RPB11protein11439% helix, 22% strandA0A6A5Q7A1
LDNA-directed RNA polymerases II subunit RPABC4protein460% helix, 24% strandA0A6A5PY05
3BJ4_G0050160.MRNA.1.CDS.1protein7275% helix, 0% strandA0A7I9BTI9
0General transcription and DNA repair factor iih helicase subunit xpd (EC 3.6.4.12)protein75448% helix, 9% strandA0A6A5Q1C1
4General transcription and DNA repair factor iih subunit TFB4protein28437% helix, 13% strandA0A7I9C5C2
6General transcription and DNA repair factor iihprotein35128% helix, 15% strandA0A7I9FQL5
1TFB1protein36761% helix, 0% strand—
7General transcription and DNA repair factor iih helicase subunit xpb (EC 3.6.4.12)protein63438% helix, 11% strandQ00578
5General transcription and DNA repair factor iih subunit TFB5protein6642% helix, 21% strandQ3E7C1
2RNA polymerase II transcription factor B subunit 2protein46048% helix, 4% strandA0A6A5Q2X3
XTranscription initiation factor iie subunit betaprotein14941% helix, 0% strandA0A6A5PS93
UTranscription initiation factor iia large subunitprotein460% helix, 54% strandA0A6A5Q2T8
VTranscription initiation factor iia subunit 2protein490% helix, 78% strandA0A6A5PRZ0
NNon-template strand DNAdna38——
TTemplate strand DNAdna48——
OTata-box-binding proteinprotein18026% helix, 38% strandP13393
WTranscription initiation factor iie subunit alphaprotein19153% helix, 12% strandA0A6A5PTU5
PRNArna5——

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains 0
  • ZN · Zinc ion · metal · 15 copies · chains M, A, B, C, Q, I, J, L, 4, 6, W
  • MG · Magnesium ion · metal · chains A, P

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
19950.880.89111empty
210950.850.86103empty
39670.850.8694empty
47260.850.8895empty
510620.840.85139empty

Interfaces

72 interfaces between chains.

  • A–B · 9166 Ų buried · 143 hydrogen bonds · protein-protein
  • 0–1 · 2765 Ų buried · 30 hydrogen bonds · protein-protein
  • 4–6 · 2324 Ų buried · 20 hydrogen bonds · protein-protein
  • Q–R · 2175 Ų buried · 49 hydrogen bonds · protein-protein
  • C–K · 2099 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7ML4 · RNA polymerase II initially transcribing complex (ITC) · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

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