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 T24836 Target Info
Target Name Vitamin K-dependent protein C (PROC)
Synonyms Vitamin K-dependent protein C light chain; Vitamin K-dependent protein C heavy chain; PROC; Blood coagulation factor XIV; Autoprothrombin IIA; Anticoagulant protein C; Activation peptide
Target Type Successful Target
Gene Name PROC
Biochemical Class Peptidase
UniProt ID
PROC_HUMAN
Ligand General Information  Top
Ligand Name Gamma-Carboxy-Glutamic Acid Ligand Info
Canonical SMILES C(C(C(=O)O)C(=O)O)C(C(=O)O)N
InChI 1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKey UHBYWPGGCSDKFX-VKHMYHEASA-N
PubChem Compound ID 104625
Drug Binding Sites of Target  Top
PDB ID: 1LQV      Crystal structure of the Endothelial protein C receptor with phospholipid in the groove in complex with Gla domain of protein C.
Method X-ray diffraction Resolution 1.60 Å Mutation Yes [1]
PDB Sequence
ANSFLLRHSS
12
LRCIICDFAK
28
IFQN
Residue
Distance (Å)
ALA1
2.720
ASN2
2.999
SER3
2.978
PHE4
3.112
LEU5
1.338
LEU8
1.348
ARG9
2.855
HIS10
4.861
SER11
3.259
SER12
2.813
LEU13
1.332
ARG15
1.329
Residue
Distance (Å)
CYS17
1.327
ILE18
1.347
ILE21
1.326
CYS22
3.188
ASP23
2.898
PHE24
1.330
ALA27
1.336
LYS28
1.338
ILE30
1.336
PHE31
3.593
GLN32
3.013
PDB ID: 3JTC      Importance of Mg2+ in the Ca2+-Dependent Folding of the gamma-Carboxyglutamic Acid Domains of Vitamin K-Dependent clotting and anticlotting Proteins
Method X-ray diffraction Resolution 1.60 Å Mutation No [2]
PDB Sequence
ANSFLLRHSS
12
LRCIICDFAK
28
IFQN
Residue
Distance (Å)
ALA1
2.752
ASN2
2.993
SER3
2.936
PHE4
3.092
LEU5
1.345
LEU8
1.374
ARG9
2.790
HIS10
4.791
SER11
3.146
SER12
2.781
LEU13
1.342
ARG15
1.310
Residue
Distance (Å)
CYS17
1.340
ILE18
1.363
ILE21
1.320
CYS22
3.199
ASP23
2.903
PHE24
1.331
ALA27
1.353
LYS28
1.344
ILE30
1.350
PHE31
3.603
GLN32
3.106
References  Top
REF 1 The crystal structure of the endothelial protein C receptor and a bound phospholipid. J Biol Chem. 2002 Jul 12;277(28):24851-4.
REF 2 Structural and functional studies of Gamma-carboxyglutamic acid domains of factor VIIa and activated Protein C: role of magnesium at physiological calcium. J Mol Biol. 2013 Jun 12;425(11):1961-1981.

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