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2ih2

Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the cofactor analog AETA and a 10 bp DNA containing 5-methylpyrimidin-2(1H)-one at the target base partner position

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Modification methylase TaqI

Thermus aquaticus

UniProt P14385

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein–DNA Monomer Protein 1 DNA 2 5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3' × 1 5'-D(*GP*AP*CP*AP*(5PY)P*CP*GP*(6MA)P*AP*C)-3' × 1 GLYCEROL × 2 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE × 1 water × 3 Consistent with all polymers
2 Protein–DNA Monomer Protein 1 DNA 2 5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3' × 1 5'-D(*GP*AP*CP*AP*(5PY)P*CP*GP*(6MA)P*AP*C)-3' × 1 GLYCEROL × 3 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE × 1 water × 3 Consistent with all polymers

Other States of the Same Protein in the Database

Monomer
1aqi 1aqi 1aqj 1aqj 2adm 2adm

6 assemblies

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
1g38 1g38 2ibs 2ibs 2ibt 2ibt 2ih2 2ih2 2ih4 2ih4 2ih5 2jg3

16 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name MTTA_THEAQ
Isoform —
PDB entities 3
Chains and sequence ranges Author chain A； PDBConstruct 1–421； UniProt 1–421 Author chain D； PDBConstruct 1–421； UniProt 1–421

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id2ih2
Deposition date deposition_date2006-09-25
Structure title titleCrystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the cofactor analog AETA and a 10 bp DNA containing 5-methylpyrimidin-2(1H)-one at the target base partner position
Keywords keywords;DNA, DNA methyltransferase, target base partner, 5-methylpyrimidin-2(1H)-one, base flipping, nucleotide flipping, TRANSFERASE-DNA COMPLEX ;; TRANSFERASE/DNA
Experimental Method methodX-RAY DIFFRACTION
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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

2ih2__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

2ih2__assembly_1__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

2ih2__assembly_1__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg（Guinier）24.03 Å
Rg (electron density)23.48 Å
Total Rg24.23 Å
Atom count3627
Residues411
Excluded volume63764 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 2ih2__assembly_1__model_1 trimeric （3） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 2ih2__assembly_2__model_1 trimeric （3） Success 4.1.3-1-20251215 (887e7ef) View Download
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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (6)

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6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd2ih2a1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.66 — S-adenosyl-L-methionine-dependent methyltransferases
Superfamily Superfamily superfamilyc.66.1 — S-adenosyl-L-methionine-dependent methyltransferases
Family Family familyc.66.1.27 — DNA methylase TaqI, N-terminal domain
Domain ID domain_idd2ih2a2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.287 — DNA methylase specificity domain
Superfamily Superfamily superfamilyd.287.1 — DNA methylase specificity domain
Family Family familyd.287.1.1 — TaqI C-terminal domain-like
Domain ID domain_idd2ih2d1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.66 — S-adenosyl-L-methionine-dependent methyltransferases
Superfamily Superfamily superfamilyc.66.1 — S-adenosyl-L-methionine-dependent methyltransferases
Family Family familyc.66.1.27 — DNA methylase TaqI, N-terminal domain
Domain ID domain_idd2ih2d2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.287 — DNA methylase specificity domain
Superfamily Superfamily superfamilyd.287.1 — DNA methylase specificity domain
Family Family familyd.287.1.1 — TaqI C-terminal domain-like

CATH v4.4 (4 domains)

Domain ID domain_id2ih2A01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily150 — Vaccinia Virus protein VP39
Domain ID domain_id2ih2A02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology220 — Adenine-n6-DNA-methyltransferase TaqI; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Adenine-n6-DNA-methyltransferase Taqi, Chain A, domain 2
Domain ID domain_id2ih2D01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily150 — Vaccinia Virus protein VP39
Domain ID domain_id2ih2D02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology220 — Adenine-n6-DNA-methyltransferase TaqI; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Adenine-n6-DNA-methyltransferase Taqi, Chain A, domain 2
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7. Citations (3)