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Chlorine in PDB 5nk3: Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L

Enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L

All present enzymatic activity of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L, PDB code: 5nk3 was solved by D.Kudlinzki, V.L.Linhard, K.Witt, S.L.Gande, K.Saxena, S.Heinzlmeir, G.Medard, B.Kuester, H.Schwalbe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.76 / 1.59
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 32.804, 40.918, 52.010, 75.90, 80.88, 70.53
R / Rfree (%) 19.3 / 22.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L (pdb code 5nk3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L, PDB code: 5nk3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5nk3

Go back to Chlorine Binding Sites List in 5nk3
Chlorine binding site 1 out of 2 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:26.6
occ:0.59
CL A:92Q1001 0.0 26.6 0.6
CBB A:92Q1001 0.4 27.0 0.4
CBA A:92Q1001 1.6 26.4 0.4
CAB A:92Q1001 1.7 26.3 0.6
CBC A:92Q1001 2.5 28.0 0.4
CBE A:92Q1001 2.7 28.0 0.6
CAC A:92Q1001 2.8 24.9 0.6
CAC A:92Q1001 2.8 24.9 0.4
NAD A:92Q1001 3.1 24.0 0.6
NAD A:92Q1001 3.2 24.0 0.4
O A:ALA644 3.2 24.2 1.0
O A:ILE690 3.3 29.2 1.0
C A:ALA644 3.4 28.8 1.0
N A:LYS646 3.5 30.1 0.6
N A:LYS646 3.5 30.1 0.5
OG1 A:THR692 3.5 23.1 1.0
N A:ILE645 3.6 26.5 1.0
CB A:LYS646 3.8 32.9 0.5
CAE A:92Q1001 3.8 21.5 0.6
CBD A:92Q1001 3.8 26.2 0.4
CB A:LYS646 3.8 32.9 0.6
CG2 A:THR692 3.8 26.0 1.0
CB A:ALA644 3.8 24.9 1.0
C A:ILE645 3.9 25.8 1.0
CA A:ILE645 3.9 25.5 1.0
N A:THR692 4.0 22.2 1.0
CBD A:92Q1001 4.0 26.2 0.6
CAE A:92Q1001 4.0 21.7 0.4
CAB A:92Q1001 4.0 26.8 0.4
CBA A:92Q1001 4.0 26.9 0.6
OAZ A:92Q1001 4.1 25.0 0.6
C A:ILE690 4.2 26.8 1.0
CB A:THR692 4.2 24.7 1.0
CA A:LYS646 4.2 27.6 0.5
CA A:LYS646 4.2 27.5 0.6
CA A:ALA644 4.2 20.8 1.0
CBE A:92Q1001 4.4 27.8 0.4
OAZ A:92Q1001 4.4 24.5 0.4
CG1 A:VAL627 4.5 26.4 1.0
CA A:ILE691 4.5 27.1 1.0
CBC A:92Q1001 4.5 27.7 0.6
C A:ILE691 4.6 24.8 1.0
N A:ILE691 4.7 27.0 1.0
CAF A:92Q1001 4.7 18.6 0.6
CA A:THR692 4.7 24.3 1.0
O A:ILE645 4.7 31.9 1.0
CAF A:92Q1001 4.9 18.9 0.4
CG2 A:ILE690 4.9 22.4 1.0

Chlorine binding site 2 out of 2 in 5nk3

Go back to Chlorine Binding Sites List in 5nk3
Chlorine binding site 2 out of 2 in the Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Compound 1L within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:26.6
occ:0.41
CL A:92Q1001 0.0 26.6 0.4
CBB A:92Q1001 0.3 26.6 0.6
CBA A:92Q1001 1.7 26.9 0.6
CAB A:92Q1001 1.7 26.8 0.4
CBC A:92Q1001 2.6 27.7 0.6
CBE A:92Q1001 2.7 27.8 0.4
CAC A:92Q1001 2.7 24.9 0.4
CAC A:92Q1001 2.8 24.9 0.6
NAD A:92Q1001 3.0 24.0 0.4
NAD A:92Q1001 3.1 24.0 0.6
O A:SER756 3.2 38.2 1.0
CAE A:92Q1001 3.3 21.7 0.4
OAZ A:92Q1001 3.3 24.5 0.4
CAE A:92Q1001 3.5 21.5 0.6
CB A:SER756 3.6 25.4 1.0
OAZ A:92Q1001 3.6 25.0 0.6
C A:SER756 3.8 36.6 1.0
CD1 A:LEU746 3.8 21.8 1.0
CBD A:92Q1001 4.0 26.2 0.6
CBD A:92Q1001 4.0 26.2 0.4
CBA A:92Q1001 4.0 26.4 0.4
CAB A:92Q1001 4.0 26.3 0.6
CA A:SER756 4.2 20.4 1.0
OG A:SER756 4.3 24.7 1.0
CAF A:92Q1001 4.3 18.9 0.4
CG1 A:ILE676 4.3 23.1 1.0
CAF A:92Q1001 4.3 18.6 0.6
CG2 A:ILE676 4.4 27.2 1.0
CBE A:92Q1001 4.5 28.0 0.6
CBC A:92Q1001 4.5 28.0 0.4
CB A:ILE676 4.6 20.4 1.0
N A:ASP757 4.7 22.0 1.0
CE A:MET667 4.8 32.6 1.0
CAG A:92Q1001 4.8 21.2 0.6
CD1 A:ILE676 4.8 24.7 1.0
CAG A:92Q1001 4.9 21.1 0.4
CG A:LEU746 4.9 18.4 1.0

Reference:

S.Heinzlmeir, J.Lohse, T.Treiber, D.Kudlinzki, V.Linhard, S.L.Gande, S.Sreeramulu, K.Saxena, X.Liu, M.Wilhelm, H.Schwalbe, B.Kuster, G.Medard. Chemoproteomics-Aided Medicinal Chemistry For the Discovery of EPHA2 Inhibitors. Chemmedchem V. 12 999 2017.
ISSN: ESSN 1860-7187
PubMed: 28544567
DOI: 10.1002/CMDC.201700217
Page generated: Sat Jul 12 06:09:21 2025

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