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7zjp

Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106

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

Transcriptional enhancer factor TEF-1

Homo sapiens

UniProt P28347

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein monomer Monomer Protein 1 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid × 1 SULFATE ION × 2 water × 1 Consistent with protein count
2 Protein monomer Monomer Protein 1 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid × 1 SULFATE ION × 1 water × 1 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
2hzd 4z8e 4z8e 4z8e 6im5 6im5 7cmm 7cmm 7cmm 7cmm 7zjp 7zjp

16 assemblies; showing the first 12

Homodimer
8q68 9gax

2 assemblies

Homotetramer
8s6y

1 assemblies

Other homooligomers
4z8e

1 assemblies

Heteromeric or nucleic-acid complex
3kys 3kys 4re1 4re1 5nnx 6hil 6hil 6hil 6hil 9fza 9fza

11 assemblies

View Construct and Data Evidence
UniProt name TEAD1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–220； UniProt 208–426 Author chain B； PDBConstruct 1–220； UniProt 208–426

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_id7zjp
Deposition date deposition_date2022-04-11
Structure title titleOptimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106
Keywords keywords;IMMUNOGLOBULIN-LIKE FOLD, ACTIVATOR, DISEASE MUTATION, DNA-BINDING, NUCLEUS, PHOSPHOPROTEIN, TRANSCRIPTION, TRANSCRIPTION REGULATION, TRANSCRIPTION-PROTEIN BINDING COMPLEX ;; TRANSCRIPTION
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.

7zjp__assembly_1__model_1

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

Download this curve (.dat)

7zjp__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.

7zjp__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）18.94 Å
Rg (electron density)17.55 Å
Total Rg18.55 Å
Atom count1782
Residues215
Excluded volume31617 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 7zjp__assembly_1__model_1 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 7zjp__assembly_2__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 (4)

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6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id7zjpA01
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology50 — Coagulation Factor XIII; Chain A, domain 1
Homologous superfamily homologous superfamily80 —
Domain ID domain_id7zjpB01
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology50 — Coagulation Factor XIII; Chain A, domain 1
Homologous superfamily homologous superfamily80 —
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7. Citations (1)