PDB 2g26 biological assemblies and structure analysis ‹ Protein Data Bank in Europe (PDBe)

Assemblies

Assembly 1

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Multimeric state: monomeric

Binding statistics and energies are not available for this assembly

Monomeric assembly 1 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the front.

Monomeric assembly 1 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the side.

Monomeric assembly 1 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the top.

Assembly 2 (preferred)

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Multimeric state: monomeric

Accessible surface area: 14400 Å²

Buried surface area: 1100 Å²

Dissociation area: 550 Å²

Dissociation energy (ΔG^diss): -6 kcal/mol

Dissociation entropy (TΔS^diss): 6 kcal/mol

Interface energy (ΔG^int): 0 kcal/mol

Symmetry number: 1

$<ul class ='image_legend_ul'> Monomeric assembly 2 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the front. This assembly contains:<li class ='image_legend_li'>One copy of Renin</li><li class ='image_legend_li'>One copy of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

$<ul class ='image_legend_ul'> Monomeric assembly 2 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the side. This assembly contains:<li class ='image_legend_li'>One copy of Renin</li><li class ='image_legend_li'>One copy of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

$<ul class ='image_legend_ul'> Monomeric assembly 2 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the top. This assembly contains:<li class ='image_legend_li'>One copy of Renin</li><li class ='image_legend_li'>One copy of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

Assembly 3

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Multimeric state: homo hexamer

Accessible surface area: 73600 Å²

Buried surface area: 15900 Å²

Dissociation area: 6,200 Å²

Dissociation energy (ΔG^diss): 3 kcal/mol

Dissociation entropy (TΔS^diss): 71 kcal/mol

Interface energy (ΔG^int): -59 kcal/mol

Symmetry number: 3

$<ul class ='image_legend_ul'> Hexameric assembly 3 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the front. This assembly contains:<li class ='image_legend_li'>6 copies of Renin</li><li class ='image_legend_li'>3 copies of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

$<ul class ='image_legend_ul'> Hexameric assembly 3 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the side. This assembly contains:<li class ='image_legend_li'>6 copies of Renin</li><li class ='image_legend_li'>3 copies of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

$<ul class ='image_legend_ul'> Hexameric assembly 3 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the top. This assembly contains:<li class ='image_legend_li'>6 copies of Renin</li><li class ='image_legend_li'>3 copies of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

Assembly 4

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Multimeric state: homo trimer

Accessible surface area: 39500 Å²

Buried surface area: 7200 Å²

Dissociation area: 1,900 Å²

Dissociation energy (ΔG^diss): 2 kcal/mol

Dissociation entropy (TΔS^diss): 28 kcal/mol

Interface energy (ΔG^int): -26 kcal/mol

Symmetry number: 3

$<ul class ='image_legend_ul'> Trimeric assembly 4 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the front. This assembly contains:<li class ='image_legend_li'>3 copies of Renin</li><li class ='image_legend_li'>3 copies of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

$<ul class ='image_legend_ul'> Trimeric assembly 4 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the side. This assembly contains:<li class ='image_legend_li'>3 copies of Renin</li><li class ='image_legend_li'>3 copies of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

$<ul class ='image_legend_ul'> Trimeric assembly 4 of PDB entry 2g26 coloured by chemically distinct molecules and viewed from the top. This assembly contains:<li class ='image_legend_li'>3 copies of Renin</li><li class ='image_legend_li'>3 copies of (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID</li></ul>}$

Macromolecules

Renin

Chains: A, B
Length: 333 amino acids
Theoretical weight: 36.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:

Canonical: P00797 (Residues: 74-406; Coverage: 87%)

Gene name: REN
Pfam: Eukaryotic aspartyl protease
InterPro:

Renin-like domain
Aspartic peptidase A1 family
Peptidase family A1 domain
Aspartic peptidase domain superfamily

CATH: Acid Proteases

PDB 2g26 contains 1 copy of Renin in assembly 2. This protein is highlighted and viewed from the front.

PDB 2g26 contains 1 copy of Renin in assembly 2. This protein is highlighted and viewed from the side.

PDB 2g26 contains 1 copy of Renin in assembly 2. This protein is highlighted and viewed from the top.

FASTA Sequence


    >pdb|2g26|A B

SSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR

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Molecule details ›

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FASTA (Protein chains A, B)
Archive mmCIF file
Updated mmCIF file
PDB file
PDB header
PDB file (gz)
PDBML
PDBML (ATOM lines)
PDBML (no atoms)
Structure Factors
SIFTS XML file with residue-level mappings

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Similar 3D structures (PDBeFold)
Similar sequences (PDBeXplore)

BLAST P00797 (UniProt)

Protein Data Bank in Europe

Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring

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Assemblies

Assembly 1

Assembly 2 (preferred)

Assembly 3

Assembly 4

Macromolecules

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PDBe › 2g26 › Structure analysis

Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring

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Assemblies

Assembly 1

Assembly 2 (preferred)

Assembly 3

Assembly 4

Macromolecules

Search similar proteins

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2g26 › Structure analysis