9CSG: Human Serum Albumin

Human Serum Albumin Bound to Cerastecin Compound 5e. Determined by X-ray diffraction at 1.91 Å resolution. Released 4 Sept 2024.

Method: X-ray diffraction
Resolution: 1.91 Å
Organism: Homo sapiens
Chains: 1
Atoms: 5,023
Mol. weight: 68.42 kDa
Ligands: A1AZR, MYR
Released: 4 Sept 2024

Explore 9CSG in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9CSG contains 36 α-helices and 0 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 36 helices, 0 β-strands

Element	Residues	Length
α-helix	6-14	9
α-helix	16-30	15
α-helix	36-55	20
α-helix	66-74	9
α-helix	80-84	5
α-helix	85-92	8
α-helix	94	1
α-helix	97-104	8
α-helix	112-114	3
α-helix	120-129	10
α-helix	131-145	15
α-helix	151-168	18
α-helix	174-222	49
α-helix	228-247	20
α-helix	250-266	17
α-helix	268-271	4
α-helix	276-280	5
α-helix	283-291	9
α-helix	293-299	7
α-helix	306	1
α-helix	307-311	5
α-helix	315-321	7
α-helix	323-337	15
α-helix	343-360	18
α-helix	366-370	5
α-helix	374-414	41
α-helix	420-438	19
α-helix	442-466	25
α-helix	471-477	7
α-helix	484-489	6
α-helix	491-493	3
α-helix	497-502	6
α-helix	512-515	4
α-helix	518-535	18
α-helix	541-558	18
α-helix	564-583	20

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Albumin	A	protein	582	Homo sapiens	P02768 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9CSG_1 Albumin (chains A)
HKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENC
DKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDV
MCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKL
DELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVH
TECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADL
PSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCA
AADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPT
LVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLV
NRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKE
QLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALG

Ligands and cofactors

ID	Name	Formula	Copies
A1AZR	2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1…	C37 H40 N4 O11 S2	1
MYR	Myristic acid	C14 H28 O2	6

Primary citation

Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy. Skudlarek, J.W., Cooke, A.J., Mitchell, H.J. et al. J Med Chem (2024) 67:15620-15675. DOI 10.1021/acs.jmedchem.4c01277 · PubMed

Other PDB entries of the same protein (UniProt P02768 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9IK6 1.69 Å, Human Serum Albumin crystallized with T4, pH 6.5
6YG9 1.89 Å, Crystal structure of human serum albumin (HSA) in complex with gn-07.
1N5U 1.9 Å, X-ray study of human serum albumin complexed with heme
8RCO 1.9 Å, Structure of Human Serum Albumin in complex with Aristolochic Acid II at 1.9 A resolution
8RCP 1.9 Å, Structure of Human Serum Albumin in complex with Myristic Acid
8RGK 1.9 Å, Structure of Human Serum Albumin in complex with Aristolochic Acid at 1.9 A resolution
8RGL 1.9 Å, Structure of Human Serum Albumin in complex with Aristolochic Acid I at 1.9 A resolution…
9EOD 1.9 Å, Human serum albumin with adamantene carboxylic acid
6QIO 1.95 Å, Ternary complex of FcRn ectodomain, FcRn binding optimised human serum albumin and the…
9IK7 1.97 Å, Human Serum Albumin crystallized with T4, pH 7.5
7VR0 1.98 Å, Human Serum Albumin
7Y2D 2.0 Å, HSA-Cu agent complex

Browse structure collections

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