Receptor
PDB id Resolution Class Description Source Keywords
2BMK 2.3 Å NON-ENZYME: IMMUNE FAB FRAGMENT OF PLP-DEPENDENT CATALYTIC ANTIBODY 15A9 IN COMPLEX WITH PHOSPHOPYRIDOXYL-D-ALANINE MUS MUSCULUS CATALYTIC ANTIBODY TRANSAMINATION PYRIDOXAL-PHOSPHATE HAPTEN PHOSPHOPYRIDOXYL-L-LYSINE IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS FOR D-AMINO ACID TRANSAMINATION BY THE PYRIDOXAL 5'-PHOSPHATE-DEPENDENT CATALYTIC ANTIBODY 15A9. J.BIOL.CHEM. V. 281 23969 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IOD B:1215;
B:1216;
B:1218;
H:1215;
H:1216;
H:1217;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
126.904 I [I-]
PDD B:1217;
L:1215;
Valid;
Valid;
none;
none;
Kd = 2.4 uM
320.236 C11 H17 N2 O7 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BMK 2.3 Å NON-ENZYME: IMMUNE FAB FRAGMENT OF PLP-DEPENDENT CATALYTIC ANTIBODY 15A9 IN COMPLEX WITH PHOSPHOPYRIDOXYL-D-ALANINE MUS MUSCULUS CATALYTIC ANTIBODY TRANSAMINATION PYRIDOXAL-PHOSPHATE HAPTEN PHOSPHOPYRIDOXYL-L-LYSINE IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS FOR D-AMINO ACID TRANSAMINATION BY THE PYRIDOXAL 5'-PHOSPHATE-DEPENDENT CATALYTIC ANTIBODY 15A9. J.BIOL.CHEM. V. 281 23969 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
2 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
3 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 3HNT - AXR BXY BXY BXX n/a n/a
2 3QG6 ic50 = 0.73 nM TYR SER THR CYS TYR PHE ILE MET n/a n/a
3 3PHQ - KDO C8 H14 O8 C1[C@H]([C....
4 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
5 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
6 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
7 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
8 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
9 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
50% Homology Family (220)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 3HNT - AXR BXY BXY BXX n/a n/a
2 3HNV - AXR BXY BXY BXX n/a n/a
3 3HNS - AXR BXY BXY BXY BXX BXX n/a n/a
4 3QG6 ic50 = 0.73 nM TYR SER THR CYS TYR PHE ILE MET n/a n/a
5 3IF1 - NGA C8 H15 N O6 CC(=O)N[C@....
6 3IET Kd = 0.14 uM GLY THR LYS PRO PRO LEU GLU GLU LEU A2G n/a n/a
7 3PHQ - KDO C8 H14 O8 C1[C@H]([C....
8 2HRP - MET SER LEU PRO GLY ARG TRP LYS PRO LYS n/a n/a
9 5NBW - 8SK C20 H12 O c1ccc2c(c1....
10 4OJF - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
11 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
12 5D6C - 57S C13 H26 N O13 P CC(=O)N[C@....
13 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
14 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
15 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
16 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
17 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
18 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
19 1F4X Kd = 2.6 uM MGS C12 H23 N O7 C[C@@H]1[C....
20 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
21 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
22 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
23 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
24 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
25 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
26 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
27 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
28 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
29 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
30 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
31 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
32 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
33 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
34 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
35 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
36 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
37 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
38 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
39 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
40 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
41 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
42 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
43 3SY0 - KDA KDO KDO n/a n/a
44 3OKL - KDA KDO n/a n/a
45 2R1Y Kd = 31 uM KDR KDO n/a n/a
46 2R2B - KDA KDO KDO n/a n/a
47 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
48 2R1X Kd = 16 uM KDD KDA n/a n/a
49 3OKK - KDA KDO n/a n/a
50 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
51 3OKN - KDO KDO KDA n/a n/a
52 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
53 2R23 Kd = 190 uM KO1 KDA n/a n/a
54 1Q9W - KDO KDO KDO n/a n/a
55 3T65 - KDA KDO n/a n/a
56 2R1W Kd = 25 uM KDB KDA n/a n/a
57 3OKO - KDA KDO KDO n/a n/a
58 3HZV - KDA KDO KDO n/a n/a
59 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
60 3OKD - KDO C8 H14 O8 C1[C@H]([C....
61 3T77 - KDA KDO n/a n/a
62 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
63 3HZK Kd = 30 uM KDA KDO n/a n/a
64 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
65 3BPC Kd = 16 uM KDB KDA n/a n/a
66 4HGW Kd = 0.00000145 M KTU KDO n/a n/a
67 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
68 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
69 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
70 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
71 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
72 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
73 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
74 2OK0 Kd = 0.2 nM DT DC n/a n/a
75 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
76 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
77 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
78 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
79 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
80 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
81 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
82 1ZLS - MAN MAN MAN MAN n/a n/a
83 3OAU - MAN MAN n/a n/a
84 1OP3 - MAN C6 H12 O6 C([C@@H]1[....
85 3OAZ - 2M5 C8 H16 O6 C[C@@H]([C....
86 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
87 3OAY - BDF C6 H12 O6 C1[C@H]([C....
88 5DTF - 5CT C10 H23 N3 O3 C(CCNC[C@H....
89 5MYO - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
90 1QYG - BCG C16 H19 N O4 C[N@]1[C@H....
91 1RIV - OBE C16 H19 N O5 C[N@H+]1[C....
92 1Q72 Kd = 0.00000145 M COC C17 H21 N O4 C[N@]1[C@H....
93 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
94 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
95 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
96 3EYV - FUC GAL NDG FUC n/a n/a
97 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
98 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
99 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
100 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
101 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
102 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
103 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
105 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
106 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
107 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
108 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
109 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
110 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
111 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
112 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
113 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
114 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
115 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
116 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
117 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
118 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
119 5JOP - GAL BGC NAG GAL n/a n/a
120 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
121 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
122 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
123 1JGU - HBC C20 H21 N O c1ccc(cc1)....
124 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
125 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
126 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
127 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
128 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
129 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
130 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
131 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
132 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
133 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
134 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
135 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
136 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
137 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
138 3TV3 - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
139 3TWC - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
140 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
141 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
142 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
143 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
144 4TUO - SIA GAL SIA GLC NGA n/a n/a
145 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
146 3DUU - KDO C8 H14 O8 C1[C@H]([C....
147 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
148 1MFE - GLA MAN ABE n/a n/a
149 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
150 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
151 1MFC - GLA MAN RAM ABE n/a n/a
152 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
153 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
154 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
155 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
156 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
157 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
158 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
159 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
160 1OAU Kd = 20 nM DNF SER n/a n/a
161 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
162 1XF2 - DT DT DT n/a n/a
163 2OMN - IPH C6 H6 O c1ccc(cc1)....
164 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
165 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
166 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
167 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
168 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
169 4ODV - GP1 Z9M n/a n/a
170 1KEG - DT 64T DT DT n/a n/a
171 1EHL - 5HT DT n/a n/a
172 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
173 1CLY - FUC GAL NAG NON FUC n/a n/a
174 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
175 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
176 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
177 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
178 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
179 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
180 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
181 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
182 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
183 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
184 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
185 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
186 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
187 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
188 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
189 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
190 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
191 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
192 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
193 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
194 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
195 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
196 1UM5 - SS1 C8 H10 O C[C@@H](c1....
197 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
198 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
199 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
200 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
201 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
202 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
203 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
204 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
205 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
206 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
207 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
208 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
209 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
210 4ODT - GP1 Z9M n/a n/a
211 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
212 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
213 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
214 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
215 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
216 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
217 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
218 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
219 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
220 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PDD; Similar ligands found: 75
No: Ligand ECFP6 Tc MDL keys Tc
1 PDD 1 1
2 PDA 1 1
3 PP3 1 1
4 TLP 0.753846 0.966102
5 2BO 0.753846 0.966102
6 2BK 0.753846 0.966102
7 PLS 0.727273 0.918033
8 PPD 0.716418 0.918033
9 C6P 0.716418 0.918033
10 ILP 0.710145 0.934426
11 PY5 0.705882 0.890625
12 IN5 0.703125 0.965517
13 7XF 0.685714 0.888889
14 PGU 0.685714 0.888889
15 PDG 0.685714 0.888889
16 KAM 0.68 0.904762
17 QLP 0.676056 0.835821
18 PY6 0.666667 0.892308
19 N5F 0.657534 0.875
20 ORX 0.657534 0.875
21 PLG 0.651515 0.918033
22 PE1 0.648649 0.875
23 76U 0.643836 0.846154
24 CBA 0.638889 0.888889
25 PL4 0.631579 0.875
26 P1T 0.623188 0.875
27 33P 0.614286 0.885246
28 IK2 0.614286 0.846154
29 5PA 0.605634 0.875
30 EA5 0.592105 0.848485
31 PLA 0.589041 0.920635
32 AQ3 0.585366 0.861538
33 PMG 0.565789 0.892308
34 PLP ALO 0.561644 0.916667
35 HEY 0.558442 0.861538
36 PXP 0.555556 0.813559
37 PSZ 0.551282 0.820895
38 3LM 0.551282 0.863636
39 PMP 0.546875 0.881356
40 PMH 0.540541 0.716216
41 GT1 0.538462 0.758065
42 RW2 0.530864 0.820895
43 PXG 0.530864 0.887097
44 PL2 0.525641 0.753623
45 7TS 0.512821 0.723684
46 DCS 0.506329 0.733333
47 9YM 0.506173 0.80303
48 PL8 0.470588 0.753425
49 7B9 0.45977 0.785714
50 PLP 2KZ 0.455696 0.854839
51 KOU 0.448718 0.822581
52 PLR 0.446154 0.775862
53 0JO 0.441558 0.738462
54 PPG 0.436782 0.818182
55 CAN PLP 0.435294 0.80597
56 P0P 0.434783 0.762712
57 1D0 0.428571 0.848485
58 PL6 0.426829 0.75
59 PLP 0.426471 0.762712
60 4LM 0.423077 0.777778
61 PLP SER 0.423077 0.864407
62 Z98 0.421687 0.8
63 EPC 0.421053 0.783333
64 AN7 0.421053 0.766667
65 PZP 0.42029 0.766667
66 LCS 0.416667 0.675325
67 GLY PLP 0.415584 0.803279
68 FOO 0.415584 0.803279
69 0LD 0.414141 0.635294
70 PUS 0.413793 0.684932
71 PLP 2TL 0.407407 0.85
72 PFM 0.404762 0.793651
73 GBC PLP 0.404494 0.84127
74 GAB PLP 0.404494 0.84127
75 5DK 0.4 0.776119
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BMK; Ligand: PDD; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 2bmk.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3K37 BCZ 0.04755 0.42795 2.8169
2 5T63 ALA ALA ALA ALA 0.02104 0.40479 2.8169
3 2PJL 047 0.006726 0.44226 2.83401
4 1YBH FAD 0.02235 0.44833 3.09735
5 3O03 NAP 0.002949 0.47996 3.28639
6 2Q6K ADN 0.009457 0.46239 3.28639
7 1DXY NAD 0.03541 0.43937 3.28639
8 1DXY COI 0.01636 0.41432 3.28639
9 1Z34 2FD 0.03808 0.41979 3.53982
10 2CCV A2G 0.009762 0.42484 3.9604
11 2C1Q BTN 0.00618 0.45001 3.96825
12 3NOJ PYR 0.01264 0.41957 4.20168
13 1PJ6 FOL 0.02813 0.4211 4.22535
14 3FPZ AHZ 0.02589 0.44204 4.42478
15 2PN6 GLN 0.01122 0.45795 4.66667
16 3MMR ABH 0.008945 0.45398 4.69484
17 4KQL 1SG 0.04375 0.42245 4.69484
18 3A8U PLP 0.01584 0.41354 4.69484
19 1IZC PYR 0.0144 0.41241 4.69484
20 2P4T NAP 0.01512 0.42241 4.83871
21 2JEN GLC GLC BGC XYS BGC XYS 0.008384 0.46512 4.86726
22 2JEN GLC GLC XYS XYS 0.01744 0.43233 4.86726
23 1JH7 UVC 0.02155 0.42239 4.86726
24 4G1V FAD 0.001238 0.51871 5.16432
25 1CR1 TTP 0.03214 0.4329 5.16432
26 3O9P MHI 0.03092 0.43209 5.39499
27 1QCA FUA 0.01115 0.45511 5.6338
28 2RDT 2RD 0.02044 0.44205 5.6338
29 1LDM NAD 0.04986 0.42063 6.10329
30 1ZFJ IMP 0.0173 0.45786 7.04225
31 1ME8 RVP 0.0206 0.4473 7.04225
32 3EAU PDN 0.03952 0.43226 7.04225
33 3EAU NDP 0.03952 0.43226 7.04225
34 1VQ2 DDN 0.004615 0.4729 7.25389
35 1SAY PYR 0.01827 0.46325 7.52212
36 1LGT BP3 0.01275 0.4729 7.9646
37 1KW6 BPY 0.02629 0.43398 7.9646
38 1WVC CTP 0.000514 0.53397 7.98122
39 1RSD PSB 0.00186 0.52991 8.26446
40 4PNO U5P 0.004156 0.42539 8.33333
41 1G6O ADP 0.03619 0.42297 8.4507
42 1OD6 PNS 0.008176 0.45369 8.75
43 4DA6 GA2 0.01474 0.44294 8.84956
44 2R7K ACP 0.04309 0.43599 8.84956
45 2R7K AMZ 0.04309 0.43599 8.84956
46 3Q2I HP7 0.01565 0.44562 8.92019
47 1NVV GNP 0.01307 0.4456 9.03614
48 1XP8 AGS 0.01723 0.43259 10.6195
49 2NSJ C2R 0.01084 0.45873 11.2426
50 2P8B NSK 0.01212 0.46955 11.2676
51 3CH5 GDP 0.04312 0.40262 11.5385
52 1C4U IH1 0.001779 0.44945 11.7371
53 4TSK TLA 0.008153 0.42036 11.7371
54 1NPL MAN 0.002286 0.44924 11.9266
55 2NLI LAC 0.01407 0.44103 12.2066
56 2NLI FMN 0.01407 0.44103 12.2066
57 3D2M COA 0.01662 0.45965 12.3894
58 2ET1 GLV 0.0275 0.41717 12.4378
59 1JQ5 NAD 0.04498 0.44392 13.615
60 3UC5 ATP 0.01433 0.44564 14.0127
61 1O6B ADP 0.0283 0.42179 14.2012
62 1LTH NAD 0.01979 0.43909 15.0235
63 1W55 GPP 0.007741 0.4134 15.493
64 3K9W ADE 0.003863 0.49231 16.5775
65 3K9W 4PS 0.003863 0.49231 16.5775
66 1WKL ATP 0.03233 0.42342 16.7883
67 3QVL 5HY 0.02326 0.4307 17.2566
68 3C2O NTM 0.04746 0.43247 23.8938
Pocket No.: 2; Query (leader) PDB : 2BMK; Ligand: PDD; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 2bmk.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MB5 SAM 0.04017 0.41789 2.21239
2 3UXL CFI 0.04669 0.40839 3.09735
3 4JP3 CIT 0.04094 0.40372 3.09735
4 4HGP KDO 0.03491 0.40916 5.16432
5 1EDO NAP 0.04894 0.42326 6.19469
6 1I2B UPG 0.04036 0.44525 7.07965
7 1I2B NAD 0.04036 0.44525 7.07965
8 1I2B USQ 0.04036 0.44525 7.07965
9 3RO7 TDR 0.02001 0.45403 7.9646
10 1WKL ADP 0.009792 0.44212 16.7883
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