2HHQ
O6-methyl-guanine:T pair in the polymerase-10 basepair position
- PDB DOI: https://doi.org/10.2210/pdb2HHQ/pdb
- NAKB: 2HHQ
- Classification: Transferase/DNA
- Organism(s): Geobacillus stearothermophilus
- Expression System: Escherichia coli BL21
- Mutation(s): No 
- Deposited: 2006-06-28 Released: 2006-12-12 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.244 
- R-Value Work: 0.212 
wwPDB Validation   3D Report Full Report
This is version 2.1 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 3 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
DNA polymerase I | C [auth A] | 580 | Geobacillus stearothermophilus | Mutation(s): 0  Gene Names: polA EC: 2.7.7.7 | |
UniProt | |||||
Find proteins for Q45458 (Geobacillus stearothermophilus) Explore Q45458  Go to UniProtKB:  Q45458 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q45458 | ||||
Sequence AnnotationsExpand | |||||
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Find similar nucleic acids by: Sequence | 3D Structure
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | Organism | Image | |
5'-D(*CP*AP*TP*(6OG)P*CP*GP*AP*GP*TP*CP*AP*GP*G)-3' | A [auth B] | 13 | N/A | ||
Sequence AnnotationsExpand | |||||
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Find similar nucleic acids by: Sequence | 3D Structure
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | Organism | Image | |
5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*AP*TP*GP*A)-3' | B [auth C] | 15 | N/A | ||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
SO4 Query on SO4 | G [auth A], H [auth A], I [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
MG Query on MG | J [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 4 | |||||
---|---|---|---|---|---|
ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
PRD_900003 Query on PRD_900003 | D, E, F | sucrose | Oligosaccharide / Nutrient |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.244 
- R-Value Work: 0.212 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 86.792 | α = 90 |
b = 93.274 | β = 90 |
c = 106.018 | γ = 90 |
Software Name | Purpose |
---|---|
XSCALE | data processing |
CNS | refinement |
PDB_EXTRACT | data extraction |
XDS | data reduction |
XSCALE | data scaling |
CNS | phasing |
Entry History 
Deposition Data
- Released Date: 2006-12-12  Deposition Author(s): Warren, J.J., Forsberg, L.J., Beese, L.S.
Revision History (Full details and data files)
- Version 1.0: 2006-12-12
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2024-02-14
Changes: Data collection, Database references, Structure summary