Chlorine in PDB 5dhg: The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target)

The structure of The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target), PDB code: 5dhg was solved by R.L.Miller, A.A.Thompson, C.Trapella, R.Guerrini, D.Malfacini, N.Patel, G.W.Han, V.Cherezov, G.Calo, V.Katritch, R.C.Stevens, Gpcr Network (Gpcr), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.63 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.079, 171.696, 66.491, 90.00, 103.25, 90.00
R / Rfree (%)	23.5 / 27.5

The binding sites of Chlorine atom in the The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target) (pdb code 5dhg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target), PDB code: 5dhg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:0.3 occ:1.00 CLAY A:DGV1201 0.0 0.3 1.0 CBA A:DGV1201 1.8 0.6 1.0 CBB A:DGV1201 2.7 82.5 1.0 CAZ A:DGV1201 2.8 90.2 1.0 CAX A:DGV1201 3.0 84.1 1.0 CB A:VAL283 3.4 68.3 1.0 CG2 A:VAL283 3.5 75.8 1.0 CG1 A:VAL283 3.6 60.7 1.0 CAW A:DGV1201 3.7 75.5 1.0 OE1 A:GLN280 3.7 80.7 1.0 CA A:GLN280 3.8 69.8 1.0 CD A:GLN280 3.9 53.8 1.0 CG1 A:VAL279 3.9 56.0 1.0 O A:VAL279 4.0 90.2 1.0 CBF A:DGV1201 4.0 67.0 1.0 CBD A:DGV1201 4.0 94.7 1.0 N A:GLN280 4.2 75.7 1.0 C A:VAL279 4.2 84.4 1.0 CAU A:DGV1201 4.3 79.9 1.0 NE2 A:GLN280 4.3 54.2 1.0 CG A:GLN280 4.3 52.3 1.0 CBE A:DGV1201 4.5 74.9 1.0 CB A:GLN280 4.6 60.6 1.0 O A:GLN280 4.7 66.4 1.0 CAV A:DGV1201 4.7 78.4 1.0 C A:GLN280 4.7 73.1 1.0 CA A:VAL283 4.8 60.1 1.0 CB A:VAL279 4.9 68.9 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:0.5 occ:1.00 CLBC A:DGV1201 0.0 0.5 1.0 CBD A:DGV1201 1.8 94.7 1.0 CBE A:DGV1201 2.7 74.9 1.0 CAZ A:DGV1201 2.8 90.2 1.0 CAU A:DGV1201 3.2 79.9 1.0 CG A:TYR131 3.2 63.3 1.0 CA A:TYR131 3.2 60.6 1.0 CD2 A:TYR131 3.3 68.0 1.0 CAX A:DGV1201 3.3 84.1 1.0 CD1 A:TYR131 3.5 69.7 1.0 N A:TYR131 3.6 59.6 1.0 CE2 A:TYR131 3.6 71.4 1.0 O A:ASP130 3.7 79.2 1.0 CAW A:DGV1201 3.7 75.5 1.0 OD2 A:ASP130 3.7 77.2 1.0 CB A:TYR131 3.7 64.6 1.0 C A:ASP130 3.8 72.7 1.0 CE1 A:TYR131 3.9 63.9 1.0 CZ A:TYR131 3.9 64.1 1.0 CBF A:DGV1201 4.0 67.0 1.0 CBA A:DGV1201 4.1 0.6 1.0 CB A:MET134 4.1 70.2 1.0 CG A:ASP130 4.2 78.8 1.0 C A:TYR131 4.4 57.0 1.0 CAT A:DGV1201 4.4 88.6 1.0 CBB A:DGV1201 4.5 82.5 1.0 O A:TYR131 4.6 56.5 1.0 CB A:ASP130 4.6 79.7 1.0 NAS A:DGV1201 4.7 93.0 1.0 CG A:MET134 4.7 87.0 1.0 OD1 A:ASP130 4.8 74.8 1.0 CAV A:DGV1201 4.8 78.4 1.0 OH A:TYR131 4.8 65.2 1.0 CA A:ASP130 4.8 77.2 1.0 CE A:MET134 4.8 79.0 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1501 b:0.9 occ:1.00 CLAY B:DGV1501 0.0 0.9 1.0 CBA B:DGV1501 1.8 0.3 1.0 CBB B:DGV1501 2.8 0.5 1.0 CAZ B:DGV1501 2.8 0.0 1.0 CAX B:DGV1501 3.0 95.8 1.0 CD B:GLN1344 3.7 66.8 1.0 OE1 B:GLN1344 3.9 70.4 1.0 CAW B:DGV1501 3.9 89.4 1.0 NE2 B:GLN1344 3.9 62.9 1.0 CG2 B:VAL1347 4.0 66.6 1.0 CBF B:DGV1501 4.0 0.9 1.0 CA B:GLN1344 4.0 76.7 1.0 CBD B:DGV1501 4.1 0.5 1.0 CB B:VAL1347 4.2 65.0 1.0 CAU B:DGV1501 4.2 84.8 1.0 CG B:GLN1344 4.2 58.0 1.0 CG1 B:VAL1343 4.2 69.0 1.0 N B:GLN1344 4.3 69.1 1.0 O B:VAL1343 4.4 72.0 1.0 CG1 B:VAL1347 4.5 63.7 1.0 C B:VAL1343 4.5 75.3 1.0 CBE B:DGV1501 4.5 0.8 1.0 CB B:GLN1344 4.7 59.4 1.0 SD B:MET1198 4.7 89.2 1.0 CAV B:DGV1501 5.0 85.7 1.0 CB B:VAL1343 5.0 78.7 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Nociceptin/Orphanin Fq Peptide Receptor (Nop) in Complex with C-35 (Psi Community Target) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1501 b:0.9 occ:1.00 CLBC B:DGV1501 0.0 0.9 1.0 CBD B:DGV1501 1.8 0.5 1.0 CBE B:DGV1501 2.7 0.8 1.0 CAZ B:DGV1501 2.8 0.0 1.0 OD2 B:ASP1194 3.0 0.2 1.0 CD1 B:TYR1195 3.2 86.2 1.0 CAU B:DGV1501 3.3 84.8 1.0 CAX B:DGV1501 3.3 95.8 1.0 CE1 B:TYR1195 3.3 90.2 1.0 CG B:TYR1195 3.3 65.7 1.0 CG B:ASP1194 3.3 96.7 1.0 N B:TYR1195 3.5 57.6 1.0 CAW B:DGV1501 3.5 89.4 1.0 CA B:TYR1195 3.6 55.5 1.0 CZ B:TYR1195 3.6 76.6 1.0 CD2 B:TYR1195 3.6 70.3 1.0 C B:ASP1194 3.6 65.3 1.0 CE2 B:TYR1195 3.7 77.2 1.0 CB B:ASP1194 3.8 87.3 1.0 O B:ASP1194 3.8 56.7 1.0 OD1 B:ASP1194 4.0 97.0 1.0 CBF B:DGV1501 4.0 0.9 1.0 CB B:TYR1195 4.1 57.0 1.0 CBA B:DGV1501 4.1 0.3 1.0 CAT B:DGV1501 4.2 84.7 1.0 NAS B:DGV1501 4.2 90.2 1.0 CA B:ASP1194 4.3 74.2 1.0 OH B:TYR1195 4.4 75.3 1.0 CAV B:DGV1501 4.5 85.7 1.0 CBB B:DGV1501 4.5 0.5 1.0 C B:TYR1195 4.9 59.1 1.0

R.L.Miller, A.A.Thompson, C.Trapella, R.Guerrini, D.Malfacini, N.Patel, G.W.Han, V.Cherezov, G.Calo, V.Katritch, R.C.Stevens. The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/Ofq G Protein-Coupled Receptor. Structure V. 23 2291 2015.
ISSN: ISSN 0969-2126
PubMed: 26526853
DOI: 10.1016/J.STR.2015.07.024