Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T82105 Target Info
Target Name Biliary glycoprotein 1 (CEACAM1)
Synonyms Biliary glycoprotein 1; BGP-1; DE AltName: CD_antigen=CD66a
Target Type Clinical trial Target
Gene Name CEACAM1
UniProt ID
CEAM1_HUMAN
Ligand General Information  Top
Ligand Name B-Octylglucoside Ligand Info
Canonical SMILES CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChI 1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey HEGSGKPQLMEBJL-RKQHYHRCSA-N
PubChem Compound ID 62852
Drug Binding Sites of Target  Top
PDB ID: 4WHD      Human CEACAM1 N-domain homodimer
Method X-ray diffraction Resolution 2.50 Å Mutation No [1]
PDB Sequence
AQLTTESMPF
9
NVAEGKEVLL
19
LVHNLPQQLF
29
GYSWYKGERV
39
DGNRQIVGYA
49

IGTQQATPGP
59
ANSGRETIYP
69
NASLLIQNVT
79
QNDTGFYTLQ
89
VIKSDLVNEE
99

ATGQFHVY
Residue
Distance (Å)
GLU5
3.402
MET7
3.889
PRO8
3.606
ASN10
4.507
LYS15
3.587
GLU16
3.353
LEU18
3.917
Residue
Distance (Å)
LEU20
3.318
VAL21
2.644
HIS22
3.162
TYR68
3.690
ASN70
3.314
SER72
3.187
LEU74
4.358
PDB ID: 6XNO      Crystal structure of E99A mutant of human CEACAM1
Method X-ray diffraction Resolution 1.90 Å Mutation Yes [2]
PDB Sequence
QLTTESMPFN
10
VAEGKEVLLL
20
VHNLPQQLFG
30
YSWYKGERVD
40
GNRQIVGYAI
50

GTQQATPGPA
60
NSGRETIYPN
70
ASLLIQNVTQ
80
NDTGFYTLQV
90
IKSDLVNEAA
100

TGQFHVY
Residue
Distance (Å)
LEU18
4.073
LEU19
4.597
LEU20
3.116
VAL21
2.754
HIS22
2.980
Residue
Distance (Å)
TYR68
3.620
ASN70
3.132
SER72
2.346
LEU74
4.310
PDB ID: 4QXW      Crystal structure of the human CEACAM1 membrane distal amino terminal (N)-domain
Method X-ray diffraction Resolution 2.04 Å Mutation No [3]
PDB Sequence
QLTTESMPFN
10
VAEGKEVLLL
20
VHNLPQQLFG
30
YSWYKGERVD
40
GNRQIVGYAI
50

GTQQATPGPA
60
NSGRETIYPN
70
ASLLIQNVTQ
80
NDTGFYTLQV
90
IKSDLVNEEA
100

TGQFHVY
Residue
Distance (Å)
LEU18
3.764
LEU20
3.554
VAL21
2.843
HIS22
3.358
Residue
Distance (Å)
TYR68
3.675
ASN70
2.982
SER72
2.743
LEU74
4.126
PDB ID: 6XNT      Crystal structure of I91A mutant of human CEACAM1
Method X-ray diffraction Resolution 3.10 Å Mutation Yes [2]
PDB Sequence
QLTTESMPFN
10
VAEGKEVLLL
20
VHNLPQQLFG
30
YSWYKGERVD
40
GNRQIVGYAI
50

GTQQATPGPA
60
NSGRETIYPN
70
ASLLIQNVTQ
80
NDTGFYTLQV
90
AKSDLVNEEA
100

TGQFHVY
Click to Show 3D Structure of This Binding Site
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Residue
Distance (Å)
LEU18
4.058
LEU19
4.957
LEU20
3.490
VAL21
3.429
HIS22
3.844
Residue
Distance (Å)
TYR68
3.633
ASN70
2.934
SER72
2.591
LEU74
4.426
References  Top
REF 1 Human CEACAM1 N-domain homodimer
REF 2 Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium. Commun Biol. 2021 Mar 19;4(1):360.
REF 3 CEACAM1 regulates TIM-3-mediated tolerance and exhaustion. Nature. 2015 Jan 15;517(7534):386-90.

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