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2xpc

Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid

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

UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE

ESCHERICHIA COLI

UniProt Q8X9Y9

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein monomer Monomer Protein 1 (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID × 1 DIMETHYL SULFOXIDE × 3 SULFATE ION × 4 CHLORIDE ION × 1 water × 1 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
2xpc

1 assemblies

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex

None

View Construct and Data Evidence
UniProt name MURD_ECO57
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–437； UniProt 2–438

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_id2xpc
Deposition date deposition_date2010-08-26
Structure title titleSecond-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid
Keywords keywordsLIGASE, CELL CYCLE, CELL DIVISION, CELL SHAPE, CELL WALL BIOGENESIS/DEGRADATION, LIGASE SYNTHESIS; LIGASE
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.

2xpc__assembly_1__model_1

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

Download this curve (.dat)

2xpc__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.

2xpc__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）23.74 Å
Rg (electron density)22.62 Å
Total Rg23.45 Å
Atom count3348
Residues434
Excluded volume59290 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 2xpc__assembly_1__model_1 monomeric （1） 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) 7 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd2xpca1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.5 — MurCD N-terminal domain
Superfamily Superfamily superfamilyc.5.1 — MurCD N-terminal domain
Family Family familyc.5.1.0 — automated matches
Domain ID domain_idd2xpca2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.72 — Ribokinase-like
Superfamily Superfamily superfamilyc.72.2 — MurD-like peptide ligases, catalytic domain
Family Family familyc.72.2.1 — MurCDEF
Domain ID domain_idd2xpca3
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.59 — MurD-like peptide ligases, peptide-binding domain
Superfamily Superfamily superfamilyc.59.1 — MurD-like peptide ligases, peptide-binding domain
Family Family familyc.59.1.0 — automated matches
Domain ID domain_idd2xpca4
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (3 domains)

Domain ID domain_id2xpcA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily720 — NAD(P)-binding Rossmann-like Domain
Domain ID domain_id2xpcA02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology1190 — UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase
Homologous superfamily homologous superfamily10 — Mur-like, catalytic domain
Domain ID domain_id2xpcA03
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology190 — Protein-Tyrosine Phosphatase; Chain A
Homologous superfamily homologous superfamily20 — Mur ligase, C-terminal domain
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7. Citations (1)