7KC5: Lfa-1 I domain

X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K. Determined by X-ray diffraction at 1.86 Å resolution. Released 6 Oct 2021.

Method: X-ray diffraction
Resolution: 1.86 Å
Organism: Homo sapiens
Chains: 2
Atoms: 3,465
Mol. weight: 42.99 kDa
Ligands: BJZ, MG
Released: 6 Oct 2021

Explore 7KC5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7KC5 contains 24 α-helices and 12 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: 12 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	130-136	7	1
α-helix	144-160	17
β-strand	166-173	8	1
β-strand	177-181	5	1
α-helix	183-189	7
α-helix	192-195	4
α-helix	208-214	7
α-helix	215-219	5
α-helix	222-224	3
β-strand	231-238	8	1
α-helix	249-251	3
β-strand	255-261	7	1
α-helix	263-265	3
α-helix	268-272	5
α-helix	275-277	3
α-helix	282-285	4
β-strand	286-289	4	1
α-helix	294-303	10

Chain C: 12 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	130-136	7	2
α-helix	144-160	17
β-strand	167-173	7	2
β-strand	177-181	5	2
α-helix	183-188	6
α-helix	192-195	4
α-helix	208-214	7
α-helix	215-219	5
α-helix	222-224	3
β-strand	231-238	8	2
α-helix	249-251	3
β-strand	255-261	7	2
α-helix	263-265	3
α-helix	268-272	5
α-helix	275-277	3
α-helix	282-285	4
β-strand	286-289	4	2
α-helix	294-303	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Integrin alpha-L	A, C	protein	184	Homo sapiens	P20701 (AlphaFold model)

Sequence of entity 1 (A, C), FASTA

>7KC5_1 Integrin alpha-L (chains A, C)
GSGNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQFAAVQFSTSYKTEFDFSD
YVKRKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGARPDATKVLIIITDGEATDS
GNIDAAKDIIRYIIGIGKHFQTKESQETLHKFASKPASEFVKILDTFEKLKDLFTELQKK
IYVI

Ligands and cofactors

ID	Name	Formula	Copies
BJZ	6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-tr…	C26 H19 Cl2 N5 O4	2
MG	Magnesium ion	Mg	2

Primary citation

Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins. Woldeyes, R.A., Hallenbeck, K.K., Pfaff, S.J. et al. To be published.

Other PDB entries of the same protein (UniProt P20701 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1MJN 1.3 Å, Crystal Structure of the intermediate affinity aL I domain mutant
2ICA 1.56 Å, CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S,…
3F78 1.6 Å, Crystal structure of wild type LFA1 I domain complexed with isoflurane
1T0P 1.66 Å, Structural Basis of ICAM recognition by integrin alpahLbeta2 revealed in the complex…
3F74 1.7 Å, Crystal structure of wild type LFA1 I domain
2O7N 1.75 Å, CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-…
1LFA 1.8 Å, CD11A I-domain with bound MN++
1XUO 1.8 Å, X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A…
3BQN 1.8 Å, LFA-1 I domain bound to inhibitors
4IXD 1.8 Å, X-ray structure of lfa-1 i-domain in complex with ibe-667 at 1.8a resolution
7KC3 1.8 Å, X-ray structure of Lfa-1 I domain collected at 273 K
3M6F 1.85 Å, CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHY…

Browse structure collections

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