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4i9n

Crystal structure of rabbit LDHA in complex with AP28161 and AP28122

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

L-lactate dehydrogenase A chain

OrganismNot specified

UniProt P13491

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein homooligomer Homooligomer Protein 4 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid × 4 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid × 4 water × 4 Consistent with protein count
2 Protein homooligomer Homooligomer Protein 4 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid × 4 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid × 4 water × 4 Consistent with protein count

Other States of the Same Protein in the Database

Monomer

None

Homodimer

None

Homotetramer
3h3f 3h3f 4i8x 4i8x 4i9h 4i9h 4i9n 4i9n 4i9u 4i9u 5kkc 5nqb

21 assemblies; showing the first 12

Other homooligomers

None

Heteromeric or nucleic-acid complex

None

View Construct and Data Evidence
UniProt name LDHA_RABIT
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–331； UniProt 2–332 Author chain B； PDBConstruct 1–331； UniProt 2–332 Author chain C； PDBConstruct 1–331； UniProt 2–332 Author chain D； PDBConstruct 1–331； UniProt 2–332 Author chain E； PDBConstruct 1–331； UniProt 2–332 Author chain F； PDBConstruct 1–331； UniProt 2–332 Author chain G； PDBConstruct 1–331； UniProt 2–332 Author chain H； PDBConstruct 1–331； UniProt 2–332

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_id4i9n
Deposition date deposition_date2012-12-05
Structure title titleCrystal structure of rabbit LDHA in complex with AP28161 and AP28122
Keywords keywordscancer, fragment, inhibitor, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex; OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
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.

4i9n__assembly_1__model_1

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

Download this curve (.dat)

4i9n__assembly_1__model_1 | I(q)

10-2 10-1 106 107 108 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

4i9n__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）32.06 Å
Rg (electron density)31.04 Å
Total Rg31.72 Å
Atom count10295
Residues1307
Excluded volume185720 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 4i9n__assembly_1__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 4i9n__assembly_2__model_1 tetrameric （4） 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 (4)

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6. Fold Classification (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

Domain ID domain_idd4i9na1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.5 — LDH N-terminal domain-like
Domain ID domain_idd4i9na2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.162 — LDH C-terminal domain-like
Superfamily Superfamily superfamilyd.162.1 — LDH C-terminal domain-like
Family Family familyd.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain
Domain ID domain_idd4i9nb1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.5 — LDH N-terminal domain-like
Domain ID domain_idd4i9nb2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.162 — LDH C-terminal domain-like
Superfamily Superfamily superfamilyd.162.1 — LDH C-terminal domain-like
Family Family familyd.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain
Domain ID domain_idd4i9nc1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.5 — LDH N-terminal domain-like
Domain ID domain_idd4i9nc2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.162 — LDH C-terminal domain-like
Superfamily Superfamily superfamilyd.162.1 — LDH C-terminal domain-like
Family Family familyd.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain
Domain ID domain_idd4i9nd1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.5 — LDH N-terminal domain-like
Domain ID domain_idd4i9nd2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.162 — LDH C-terminal domain-like
Superfamily Superfamily superfamilyd.162.1 — LDH C-terminal domain-like
Family Family familyd.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain
Domain ID domain_idd4i9ne1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.5 — LDH N-terminal domain-like
Domain ID domain_idd4i9ne2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.162 — LDH C-terminal domain-like
Superfamily Superfamily superfamilyd.162.1 — LDH C-terminal domain-like
Family Family familyd.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain
Domain ID domain_idd4i9nf1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.5 — LDH N-terminal domain-like
Domain ID domain_idd4i9nf2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.162 — LDH C-terminal domain-like
Superfamily Superfamily superfamilyd.162.1 — LDH C-terminal domain-like
Family Family familyd.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain
Domain ID domain_idd4i9ng1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.5 — LDH N-terminal domain-like
Domain ID domain_idd4i9ng2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.162 — LDH C-terminal domain-like
Superfamily Superfamily superfamilyd.162.1 — LDH C-terminal domain-like
Family Family familyd.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain
Domain ID domain_idd4i9nh1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.2 — NAD(P)-binding Rossmann-fold domains
Superfamily Superfamily superfamilyc.2.1 — NAD(P)-binding Rossmann-fold domains
Family Family familyc.2.1.5 — LDH N-terminal domain-like
Domain ID domain_idd4i9nh2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.162 — LDH C-terminal domain-like
Superfamily Superfamily superfamilyd.162.1 — LDH C-terminal domain-like
Family Family familyd.162.1.1 — Lactate & malate dehydrogenases, C-terminal domain

CATH v4.4 (16 domains)

Domain ID domain_id4i9nA01
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_id4i9nA02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal
Domain ID domain_id4i9nB01
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_id4i9nB02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal
Domain ID domain_id4i9nC01
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_id4i9nC02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal
Domain ID domain_id4i9nD01
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_id4i9nD02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal
Domain ID domain_id4i9nE01
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_id4i9nE02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal
Domain ID domain_id4i9nF01
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_id4i9nF02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal
Domain ID domain_id4i9nG01
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_id4i9nG02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal
Domain ID domain_id4i9nH01
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_id4i9nH02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology110 — L-2-Hydroxyisocaproate Dehydrogenase; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Lactate dehydrogenase/glycoside hydrolase, family 4, C-terminal
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7. Citations (1)