← Back to search
8skp

X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia in complex with 1-hydroxypyridine-2(1H)-thione-6-carboxylic acid

Method: X-RAY DIFFRACTION
▼

1. Protein Identity and Related Structures Protein Identity & Related Structures

Metallo-beta-lactamase type 2

Klebsiella pneumoniae

UniProt C7C422

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein monomer Monomer Protein 1 ZINC ION × 2 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid × 1 1,2-ETHANEDIOL × 1 water × 1 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
3pg4 3rkj 3rkj 3rkk 3rkk 3sbl 3sfp 3sfp 3sfp 3sfp 3spu 3srx

166 assemblies; showing the first 12

Homodimer
3sbl 3sfp 3sfp 3spu 3spu 4ey2 4eyb 4eyf 4gyq 4gyq 4hky 4hl1

24 assemblies; showing the first 12

Homotetramer
3sbl

1 assemblies

Other homooligomers
3zr9

1 assemblies

Heteromeric or nucleic-acid complex

None

View Construct and Data Evidence
UniProt name BLAN1_KLEPN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–230； UniProt 42–270

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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id8skp
Deposition date deposition_date2023-04-20
Structure title titleX-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia in complex with 1-hydroxypyridine-2(1H)-thione-6-carboxylic acid
Keywords keywordsbeta-lactamase, hydrolase, metallo-enzyme, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
▼

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.

8skp__assembly_1__model_1

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

Download this curve (.dat)

8skp__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.

8skp__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）17.25 Å
Rg (electron density)16.09 Å
Total Rg17.05 Å
Atom count1723
Residues230
Excluded volume30370 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 8skp__assembly_1__model_1 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
▶

4. Crystallography and Experiment 4. Crystallography & Experiment

▶

5. Entities and Polymers Entities & Polymers (5)

▼

6. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id8skpA01
Class class3 — Alpha Beta
Architecture architecture60 — 4-Layer Sandwich
Topology topology15 — Metallo-beta-lactamase; Chain A
Homologous superfamily homologous superfamily10 — Ribonuclease Z/Hydroxyacylglutathione hydrolase-like
▶

7. Citations (1)