4HBQ: Loop deleted mutant of Human MAdCAM-1 D1D2

Crystal structure of a loop deleted mutant of Human MAdCAM-1 D1D2. Determined by X-ray diffraction at 1.4 Å resolution. Released 23 Jan 2013.

Method: X-ray diffraction
Resolution: 1.4 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,136
Mol. weight: 43.91 kDa
Ligands: NAG
Released: 23 Jan 2013

Explore 4HBQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4HBQ contains 8 α-helices and 42 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: 4 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	1
β-strand	12-16	5	2
β-strand	21-27	7	1
β-strand	35-39	5	2
β-strand	47-51	5	2
β-strand	54-59	6	1
α-helix	64-66	3
β-strand	68-76	9	2
β-strand	79-90	12	2
β-strand	91	1	3
β-strand	95-99	5	4
β-strand	103	1	5
β-strand	109-117	9	4
β-strand	118	1	3
β-strand	125-131	7	6
β-strand	134-135	2	6
β-strand	140-141	2	4
β-strand	145-151	7	4
β-strand	158-168	11	4
α-helix	169-171	3
α-helix	176-177	2
β-strand	179-188	10	6
β-strand	191-200	10	6
β-strand	201	1	5
α-helix	206-209	4

Chain B: 4 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	2
β-strand	12-16	5	1
β-strand	21-27	7	2
β-strand	35-39	5	1
β-strand	47-51	5	1
β-strand	54-59	6	2
α-helix	64-66	3
β-strand	68-76	9	1
β-strand	79-90	12	1
β-strand	91	1	7
β-strand	95-99	5	8
β-strand	103	1	9
β-strand	109-117	9	8
β-strand	118	1	7
β-strand	125-131	7	10
β-strand	134-135	2	10
β-strand	140-141	2	8
β-strand	145-151	7	8
β-strand	158-168	11	8
α-helix	169-171	3
α-helix	176-177	2
β-strand	179-188	10	10
β-strand	191-200	10	10
β-strand	201	1	9
α-helix	206-208	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Mucosal addressin cell adhesion molecule 1	A, B	protein	206	Homo sapiens	Q13477 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4HBQ_1 Mucosal addressin cell adhesion molecule 1 (chains A, B)
VKPLQVEPPEPVVAVALGASRQLTCRLACADRGASVQWRGLDTSLGAVQSDTGRSVLTVR
NASLSAAGTRVCVGSCGGRTFQHTVQLLVYAFPNQLTVSPAALVPGDPEVACTAHKVTPV
DPNALSFSLLVGGQELEGAQALGPEVQQEPIGGDVLFRVTERWRLPPLGTPVPPALYCQA
TMRLPGLELSHRQAIPVLGGENLYFQ

Ligands and cofactors

ID	Name	Formula	Copies
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	1

Water and common crystallization additives (SO4, GOL) are not listed.

Primary citation

A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1. Springer, T., Yu, Y., Zhu, J. et al. To be published.

Other PDB entries of the same protein (UniProt Q13477 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4HD9 1.7 Å, Crystal structure of native human MAdCAM-1 D1D2 domain
1GSM 1.9 Å, A reassessment of the MAdCAM-1 structure and its role in integrin recognition.
1BQS 2.2 Å, The crystal structure of mucosal addressin cell adhesion molecule-1 (madcam-1)
4HCR 2.3 Å, Crystal structure of human MAdCAM-1 D1D2 complexed with Fab PF-547659
4HC1 2.87 Å, Crystal structure of a loop deleted mutant of human MAdCAM-1 D1D2 complexed with Fab 10G3
9P95 3.05 Å, CryoEM structure of integrin alpha4beta7 bound to MAdCAM-1

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