Receptor
PDB id Resolution Class Description Source Keywords
5KLU 1.99 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN-SWAPPED DIMER OF YEAST ISO-1-C C WITH OMEGA-UNDECYLENYL-BETA-D-MALTOPYRANOSIDE SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) ELECTRON TRANSPORT APOPTOSIS LIPID BINDING ELECTRON TRANSPO
Ref.: CYTOCHROME C CAN FORM A WELL-DEFINED BINDING POCKET HYDROCARBONS. J. AM. CHEM. SOC. V. 138 16770 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:201;
B:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 A:205;
B:203;
A:203;
A:204;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
6UZ A:202;
B:202;
Valid;
Valid;
none;
none;
submit data
494.573 C23 H42 O11 C=CCC...
GLU B:103;
Invalid;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KLU 1.99 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A DOMAIN-SWAPPED DIMER OF YEAST ISO-1-C C WITH OMEGA-UNDECYLENYL-BETA-D-MALTOPYRANOSIDE SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) ELECTRON TRANSPORT APOPTOSIS LIPID BINDING ELECTRON TRANSPO
Ref.: CYTOCHROME C CAN FORM A WELL-DEFINED BINDING POCKET HYDROCARBONS. J. AM. CHEM. SOC. V. 138 16770 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5KLU - 6UZ C23 H42 O11 C=CCCCCCCC....
2 5T7H - ZE7 C12 H24 O C1CCC(CC1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5KLU - 6UZ C23 H42 O11 C=CCCCCCCC....
2 5T7H - ZE7 C12 H24 O C1CCC(CC1)....
3 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5KLU - 6UZ C23 H42 O11 C=CCCCCCCC....
2 5T7H - ZE7 C12 H24 O C1CCC(CC1)....
3 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6UZ; Similar ligands found: 136
No: Ligand ECFP6 Tc MDL keys Tc
1 6UZ 1 1
2 LMT 0.738462 0.840909
3 DMU 0.738462 0.840909
4 UMQ 0.738462 0.840909
5 LMU 0.738462 0.840909
6 GLA GAL GLC NBU 0.656716 0.813953
7 MAL EDO 0.650794 0.85
8 MA4 0.648649 0.948718
9 CM5 0.635135 0.948718
10 GLA GAL BGC 5VQ 0.61194 0.809524
11 GLA EGA 0.584615 0.804878
12 LAT GLA 0.539683 0.846154
13 MMA MAN 0.515152 0.804878
14 DR5 0.515152 0.804878
15 BNG 0.507463 0.795455
16 BOG 0.507463 0.795455
17 HSJ 0.507463 0.795455
18 GLC GLC GLC GLC GLC GLC 0.506667 0.846154
19 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.5 0.846154
20 MT7 0.5 0.846154
21 GLC GLC GLC GLC GLC 0.5 0.846154
22 MTT 0.5 0.846154
23 GLC BGC BGC BGC BGC 0.5 0.846154
24 BGC GLC GLC GLC GLC GLC GLC 0.5 0.846154
25 BGC BGC BGC GLC 0.5 0.846154
26 BMA BMA BMA BMA BMA BMA 0.5 0.846154
27 BGC GLC GLC GLC 0.5 0.846154
28 MLR 0.5 0.846154
29 CE5 0.5 0.846154
30 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.846154
31 GAL GAL GAL 0.5 0.846154
32 BGC BGC BGC BGC BGC BGC 0.5 0.846154
33 CE6 0.5 0.846154
34 GLA GAL GLC 0.5 0.846154
35 GLC BGC BGC 0.5 0.846154
36 BMA MAN BMA 0.5 0.846154
37 GLC GLC GLC GLC GLC GLC GLC GLC 0.5 0.846154
38 CEY 0.5 0.846154
39 GLC GLC BGC 0.5 0.846154
40 GLC GLC BGC GLC GLC GLC GLC 0.5 0.846154
41 CT3 0.5 0.846154
42 MAN BMA BMA BMA BMA 0.5 0.846154
43 CTR 0.5 0.846154
44 CEX 0.5 0.846154
45 CTT 0.5 0.846154
46 GLC BGC BGC BGC BGC BGC 0.5 0.846154
47 DXI 0.5 0.846154
48 GLC GAL GAL 0.5 0.846154
49 BMA BMA BMA BMA BMA 0.5 0.846154
50 GLC BGC GLC 0.5 0.846154
51 CE8 0.5 0.846154
52 MAN BMA BMA 0.5 0.846154
53 BGC GLC GLC 0.5 0.846154
54 BMA BMA BMA 0.5 0.846154
55 GLC GLC GLC GLC GLC GLC GLC 0.5 0.846154
56 BGC GLC GLC GLC GLC 0.5 0.846154
57 B4G 0.5 0.846154
58 MAN MAN BMA BMA BMA BMA 0.5 0.846154
59 BMA BMA BMA BMA BMA BMA MAN 0.492958 0.825
60 MAN BMA BMA BMA BMA BMA 0.492958 0.825
61 B7G 0.492537 0.795455
62 KGM 0.492537 0.795455
63 BGC BMA 0.484848 0.846154
64 N9S 0.484848 0.846154
65 GLC BGC 0.484848 0.846154
66 GLA GLA 0.484848 0.846154
67 MAL 0.484848 0.846154
68 B2G 0.484848 0.846154
69 GLC GAL 0.484848 0.846154
70 BMA BMA 0.484848 0.846154
71 BMA GAL 0.484848 0.846154
72 GLA GAL 0.484848 0.846154
73 CBI 0.484848 0.846154
74 MAL MAL 0.484848 0.825
75 BGC GLC 0.484848 0.846154
76 MAB 0.484848 0.846154
77 GAL BGC 0.484848 0.846154
78 LAT 0.484848 0.846154
79 BGC GAL 0.484848 0.846154
80 LBT 0.484848 0.846154
81 CBK 0.484848 0.846154
82 GAL GLC 0.484848 0.846154
83 GLC HEX 0.477612 0.772727
84 HEX GLC 0.477612 0.772727
85 BHG 0.477612 0.772727
86 JZR 0.477612 0.772727
87 BGC BGC GLC 0.472222 0.846154
88 LSE 0.468354 0.641509
89 AFO 0.462687 0.717391
90 G2F BGC BGC BGC BGC BGC 0.460526 0.790698
91 BGC 18C GAL 0.459184 0.666667
92 LAT SPH OCA 0.459184 0.666667
93 BMA BMA GLA BMA BMA 0.45 0.846154
94 GLC GLC XYP 0.448718 0.846154
95 XNS 0.447368 0.795455
96 DR4 0.447368 0.795455
97 GAL BGC NAG GAL 0.447059 0.647059
98 10M 0.444444 0.787234
99 BGC BGC BGC BGC 0.441558 0.846154
100 BGC BGC BGC BGC BGC BGC BGC BGC 0.441558 0.846154
101 GLC GLC GLC BGC 0.4375 0.846154
102 OPM MAN MAN 0.433735 0.818182
103 DEG 0.432836 0.744186
104 MVP 0.432432 0.68
105 G3I 0.43038 0.708333
106 OXZ BGC BGC 0.43038 0.641509
107 G2I 0.43038 0.708333
108 BGB 0.430233 0.822222
109 GLO GLC GLC 0.428571 0.804878
110 LAT SPH DAO 0.427083 0.660714
111 LAT SPH OLA 0.427083 0.660714
112 GLA GAL GAL 0.426667 0.846154
113 GLA GAL BGC 0.426667 0.846154
114 SOR GLC GLC 0.425 0.825
115 LGN 0.424528 0.666667
116 IGC 0.424528 0.666667
117 MGL SGC GLC GLC 0.423529 0.75
118 BGC BGC SGC MGL 0.423529 0.75
119 GLC GLC XYS 0.419753 0.825
120 GLO GLC GLC GLC 0.418605 0.804878
121 U63 0.416667 0.767442
122 SOR GLC GLC GLC 0.414634 0.825
123 TRE 0.409836 0.846154
124 BHE 0.409639 0.822222
125 GTM BGC BGC 0.409639 0.75
126 MAN MAN 0.405797 0.846154
127 BGC BGC 0.405797 0.846154
128 2M4 0.405797 0.846154
129 GLA MBG 0.405797 0.804878
130 BMA MAN 0.402778 0.825
131 8VZ 0.402597 0.6
132 BGC BGC G2F SHG 0.402299 0.772727
133 ERA BGC GAL 0.4 0.655172
134 MAN GLC 0.4 0.846154
135 LB2 0.4 0.846154
136 M3M 0.4 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KLU; Ligand: 6UZ; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5klu.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5KLU; Ligand: 6UZ; Similar sites found: 8
This union binding pocket(no: 2) in the query (biounit: 5klu.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CUB GAL NAG 0.006847 0.41661 3.77358
2 4E5N NAD 0.04033 0.40595 6.60377
3 5IR4 ZPE 0.03063 0.42121 7.54717
4 5G5G FAD 0.03174 0.42035 10.3774
5 1PCA CIT 0.01289 0.40409 10.3774
6 1U1I NAD 0.04575 0.40504 12.2642
7 4WZ8 3W7 0.04126 0.414 14.1509
8 1YOK P6L 0.007974 0.44735 16.0377
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