7AEN: Isoform 2 of Galectin-8

Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside. Determined by X-ray diffraction at 1.6 Å resolution. Released 28 Jul 2021.

Method: X-ray diffraction
Resolution: 1.6 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,740
Mol. weight: 34.82 kDa
Ligands: R8B
Released: 28 Jul 2021

Explore 7AEN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7AEN contains 4 α-helices and 28 β-strands across 2 chains. 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: 2 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	9-13	5	1
β-strand	19-22	4	2
β-strand	32-38	7	1
β-strand	45-52	8	2
α-helix	60	1
β-strand	61-69	9	2
β-strand	75-82	8	2
β-strand	85-86	2	2
β-strand	90-92	3	2
β-strand	102-109	8	1
β-strand	113-118	6	1
β-strand	121-127	7	1
α-helix	132-134	3
β-strand	137-142	6	2
β-strand	145-152	8	1

Chain B: 2 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	9-13	5	3
β-strand	19-22	4	4
β-strand	32-38	7	3
β-strand	39	1	5
β-strand	45-52	8	4
α-helix	60	1
β-strand	61-69	9	4
β-strand	75-82	8	4
β-strand	85-86	2	4
β-strand	90-92	3	4
β-strand	99	1	5
β-strand	102-109	8	3
β-strand	113-118	6	3
β-strand	121-127	7	3
α-helix	132-134	3
β-strand	137-142	6	4
β-strand	145-152	8	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Isoform 2 of Galectin-8	A, B	protein	150	Homo sapiens	O00214 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7AEN_1 Isoform 2 of Galectin-8 (chains A, B)
NLQNIIYNPVIPFVGTIPDQLDPGTLIVIRGHVPSDADRFQVDLQNGSSMKPRADVAFHF
NPRFKRAGCIVCNTLINEKWGREEITYDTPFKREKSFEIVIMVLKDKFQVAVNGKHTLLY
GHRIGPEKIDTLGIYGKVNIHSIGFSFSSD

Ligands and cofactors

ID	Name	Formula	Copies
R8B	methyl 3-O-((7-carboxy) quinolin-2-yl)-methyl)-beta-D-galactopyranoside	C18 H21 N O8	2

Water and common crystallization additives (GOL, CL) are not listed.

Primary citation

Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain. Hassan, M., Baussiere, F., Guzelj, S. et al. ACS Med Chem Lett (2021) 12:1745-1752. DOI 10.1021/acsmedchemlett.1c00371

Other PDB entries of the same protein (UniProt O00214 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5GZC 1.08 Å, Crystal structure of Galectin-8 N-CRD with part of linker
9FYJ 1.08 Å, N-terminal domain of human galectin-8 in complex with an alpha-galactoside ligand
5GZD 1.19 Å, Galectin-8 N-terminal domain carbohydrate recognition domain
9FXZ 1.3 Å, Galectin-8 N-terminal carbohydrate recognition domain in complex with…
5GZE 1.32 Å, Galectin-8 N-terminal domain carbohydrate recognition domain
3AP9 1.33 Å, Crystal structure of the galectin-8 N-terminal carbohydrate recognition domain in…
6Z6Y 1.34 Å, Galectin-8 N-terminal domain in complex with a sulfatide mimicking a sphingolipid
7ALS 1.35 Å, Alpha and beta Lactose isomer structure of Galectin 8, N-terminal domain
4BMB 1.35 Å, Crystal structure of the N terminal domain of human Galectin 8
31ML 1.5 Å, Crystal structure of the complex of galectin-8N-Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galac…
7P1M 1.52 Å, Galectin-8 N-terminal carbohydrate recognition domain in complex with benzimidazole…
3AP7 1.53 Å, Crystal structure of the galectin-8 N-terminal carbohydrate recognition domain in…

Browse structure collections

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