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Receptor
PDB id Resolution Class Description Source Keywords
1P9B 2 Å EC: 6.3.4.4 STRUCTURE OF FULLY LIGATED ADENYLOSUCCINATE SYNTHETASE FROM FALCIPARUM PLASMODIUM FALCIPARUM LIGASE
Ref.: CRYSTAL STRUCTURE OF FULLY LIGATED ADENYLOSUCCINATE SYNTHETASE FROM PLASMODIUM FALCIPARUM. J.MOL.BIOL. V. 335 1251 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GDP A:1603;
Valid;
none;
submit data
443.201 C10 H15 N5 O11 P2 c1nc2...
HDA A:1602;
Valid;
none;
submit data
119.076 C3 H5 N O4 C(C(=...
IMO A:1601;
Valid;
none;
submit data
428.186 C10 H14 N4 O11 P2 c1nc2...
MG A:1600;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NO3 A:1604;
Invalid;
none;
submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P9B 2 Å EC: 6.3.4.4 STRUCTURE OF FULLY LIGATED ADENYLOSUCCINATE SYNTHETASE FROM FALCIPARUM PLASMODIUM FALCIPARUM LIGASE
Ref.: CRYSTAL STRUCTURE OF FULLY LIGATED ADENYLOSUCCINATE SYNTHETASE FROM PLASMODIUM FALCIPARUM. J.MOL.BIOL. V. 335 1251 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1P9B - HDA C3 H5 N O4 C(C(=O)O)N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1P9B - HDA C3 H5 N O4 C(C(=O)O)N....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1HOO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1NHT - HDA C3 H5 N O4 C(C(=O)O)N....
3 1GIM - HDA C3 H5 N O4 C(C(=O)O)N....
4 1CIB - HDA C3 H5 N O4 C(C(=O)O)N....
5 1QF4 ic50 = 0.665 uM RPD C13 H22 N3 O13 P C(C[C@H](C....
6 1CH8 - HDA C3 H5 N O4 C(C(=O)O)N....
7 1CG0 - HDA C3 H5 N O4 C(C(=O)O)N....
8 1CG1 - HDA C3 H5 N O4 C(C(=O)O)N....
9 2GCQ Ki = 17 uM HDA C3 H5 N O4 C(C(=O)O)N....
10 1HON - GNH C10 H16 N6 O10 P2 c1nc2c(n1[....
11 1CG4 - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
12 1CG3 - HDA C3 H5 N O4 C(C(=O)O)N....
13 1QF5 ic50 = 0.043 uM RPL C13 H22 N3 O13 P C(C[C@@H](....
14 1HOP - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
15 5I34 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 1P9B - HDA C3 H5 N O4 C(C(=O)O)N....
17 1IWE - IMP C10 H13 N4 O8 P c1nc2c(n1[....
18 1LON - HDA C3 H5 N O4 C(C(=O)O)N....
19 1MF0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 2DGN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1LOO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
22 1MEZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 1LNY - IMO C10 H14 N4 O11 P2 c1nc2c(c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GDP; Similar ligands found: 161
No: Ligand ECFP6 Tc MDL keys Tc
1 GDP 1 1
2 GTP 0.909091 1
3 GP3 0.881579 0.973684
4 GNH 0.858974 0.986667
5 9GM 0.839506 0.973684
6 GNP 0.839506 0.973684
7 G 0.828947 0.986486
8 5GP 0.828947 0.986486
9 G1R 0.82716 0.986667
10 GCP 0.82716 0.973684
11 GSP 0.817073 0.948718
12 GAV 0.797619 0.961039
13 GMV 0.792683 0.973684
14 G2P 0.77381 0.961039
15 G2R 0.770115 0.961039
16 GP2 0.756098 0.961039
17 GDC 0.747253 0.961039
18 GKE 0.747253 0.961039
19 GDD 0.747253 0.961039
20 GPG 0.741573 0.961039
21 G3D 0.732558 0.986486
22 ALF 5GP 0.729412 0.888889
23 Y9Z 0.728261 0.902439
24 G5P 0.723404 0.973684
25 GFB 0.72043 0.961039
26 GTG 0.72043 0.936709
27 GDR 0.72043 0.961039
28 G4P 0.715909 0.986486
29 G3A 0.712766 0.973684
30 6CK 0.712766 0.936709
31 GDP AF3 0.7 0.888889
32 ALF GDP 0.7 0.888889
33 GDP ALF 0.7 0.888889
34 YGP 0.698925 0.901235
35 GKD 0.697917 0.961039
36 JB2 0.697917 0.961039
37 GDX 0.690722 0.973684
38 GPD 0.690722 0.925
39 GMP 0.684211 0.88
40 0O2 0.666667 0.986486
41 JB3 0.656863 0.948718
42 NGD 0.650485 0.961039
43 DGI 0.636364 0.923077
44 GDP 7MG 0.636364 0.911392
45 U2G 0.634615 0.936709
46 GPX 0.634409 0.946667
47 G G 0.632653 0.948052
48 IDP 0.632184 0.972973
49 2MD 0.632075 0.891566
50 CAG 0.62963 0.880952
51 CG2 0.622642 0.936709
52 FEG 0.619048 0.879518
53 MGD 0.614679 0.891566
54 ZGP 0.613208 0.869048
55 GH3 0.612903 0.973333
56 3GP 0.611765 0.946667
57 MD1 0.607143 0.891566
58 PGD 0.59292 0.925
59 DGT 0.591398 0.923077
60 BGO 0.588785 0.924051
61 TPG 0.582609 0.840909
62 DBG 0.582609 0.948718
63 2GP 0.574713 0.96
64 FE9 0.570175 0.776596
65 GCP G 0.56 0.921053
66 A G 0.553571 0.935065
67 G A A A 0.553571 0.923077
68 MGP 0.553191 0.961039
69 U A G G 0.548673 0.935065
70 G4M 0.548387 0.880952
71 6G0 0.547368 0.961039
72 G1R G1R 0.542373 0.924051
73 P2G 0.527473 0.883117
74 PGD O 0.525 0.850575
75 ADP 0.522222 0.92
76 R5I 0.520833 0.946667
77 R7I 0.520833 0.946667
78 GGM 0.517544 0.901235
79 DGP 0.516484 0.910256
80 DG 0.516484 0.910256
81 P1G 0.516129 0.871795
82 G U 0.513274 0.9
83 G1G 0.508475 0.925
84 IMP 0.505495 0.959459
85 AKW 0.504425 0.890244
86 G C 0.504348 0.9
87 GPC 0.491525 0.879518
88 G7M 0.483871 0.948052
89 6AD 0.479592 0.841463
90 ATP 0.473684 0.92
91 HEJ 0.473684 0.92
92 G2Q 0.471154 0.961039
93 5FA 0.46875 0.92
94 AQP 0.46875 0.92
95 GTA 0.468468 0.936709
96 7DD 0.468085 0.906667
97 G G G RPC 0.466102 0.875
98 SGP 0.463158 0.82716
99 01G 0.462963 0.902439
100 HFD 0.459184 0.873418
101 B4P 0.457447 0.894737
102 AP5 0.457447 0.894737
103 A2D 0.456522 0.894737
104 6YZ 0.455446 0.896104
105 G G G C 0.455285 0.9125
106 5GP 5GP 0.454545 0.883117
107 ANP 0.454545 0.896104
108 ACQ 0.454545 0.896104
109 AT4 0.452632 0.884615
110 A G C C 0.451613 0.911392
111 APC G U 0.45082 0.886076
112 PRT 0.449541 0.959459
113 G U34 0.449153 0.888889
114 DG DG 0.448598 0.865854
115 ITT 0.447917 0.868421
116 BA3 0.446809 0.894737
117 C2E 0.444444 0.921053
118 PCG 0.444444 0.933333
119 35G 0.444444 0.933333
120 MGO 0.441176 0.864198
121 AN2 0.4375 0.907895
122 G C C C 0.4375 0.924051
123 M33 0.43299 0.883117
124 UCG 0.429688 0.911392
125 A G U 0.42963 0.888889
126 ACP 0.428571 0.896104
127 MGQ 0.424528 0.935897
128 AR6 0.424242 0.894737
129 7DT 0.424242 0.906667
130 APR 0.424242 0.894737
131 93A 0.42268 0.833333
132 A4P 0.420168 0.869048
133 G8D 0.42 0.875
134 AD9 0.42 0.896104
135 SAP 0.42 0.873418
136 AGS 0.42 0.873418
137 CA0 0.418367 0.896104
138 ATF 0.417476 0.884615
139 AGO 0.414634 0.888889
140 A G U U 0.414286 0.888889
141 NIA 0.413043 0.82716
142 MGV 0.412844 0.890244
143 TAT 0.411765 0.884615
144 T99 0.411765 0.884615
145 ADQ 0.411215 0.871795
146 A1R 0.411215 0.839506
147 RGT 0.410714 0.909091
148 CGP 0.409836 0.86747
149 C1Z 0.409091 0.986486
150 A 0.408602 0.893333
151 AMP 0.408602 0.893333
152 UP5 0.40678 0.873418
153 AMZ 0.406593 0.918919
154 C2R 0.406593 0.906667
155 JBT 0.405882 0.778947
156 A22 0.40566 0.907895
157 25L 0.405405 0.907895
158 ADX 0.40404 0.809524
159 8OD 0.401961 0.946667
160 50T 0.4 0.883117
161 4TC 0.4 0.851852
Ligand no: 2; Ligand: HDA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HDA 1 1
Ligand no: 3; Ligand: IMO; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 IMO 1 1
2 A 0.657534 0.928571
3 AMP 0.657534 0.928571
4 DOI 0.567901 0.915493
5 6C6 0.564706 0.866667
6 6IA 0.55814 0.822785
7 ITT 0.554217 0.985294
8 PGS 0.554217 0.868421
9 A2D 0.55 0.902778
10 ABM 0.55 0.876712
11 ADP 0.548781 0.929577
12 2SA 0.545455 0.891892
13 BA3 0.536585 0.902778
14 AP2 0.536585 0.891892
15 A12 0.536585 0.891892
16 71V 0.536585 0.844156
17 B4P 0.53012 0.902778
18 AP5 0.53012 0.902778
19 HEJ 0.529412 0.929577
20 ATP 0.529412 0.929577
21 N6P 0.526882 0.955882
22 SRA 0.525 0.878378
23 AT4 0.52381 0.891892
24 AN2 0.52381 0.916667
25 AQP 0.523256 0.929577
26 PRX 0.523256 0.853333
27 5FA 0.523256 0.929577
28 APC 0.523256 0.891892
29 25A 0.521739 0.929577
30 6K6 0.521739 0.915493
31 7RP 0.518519 0.970149
32 CA0 0.517647 0.878378
33 ADX 0.517647 0.8125
34 AU1 0.517647 0.90411
35 M33 0.517647 0.890411
36 P2P 0.512195 0.970588
37 50T 0.511628 0.890411
38 ACP 0.511628 0.90411
39 AIR 0.506667 0.859155
40 AR6 0.505747 0.902778
41 APR 0.505747 0.902778
42 TAT 0.505618 0.891892
43 T99 0.505618 0.891892
44 ACQ 0.505618 0.90411
45 AGS 0.5 0.88
46 AD9 0.5 0.90411
47 RBY 0.5 0.866667
48 SAP 0.5 0.88
49 ADV 0.5 0.866667
50 RMB 0.493976 0.911765
51 7RA 0.493976 0.915493
52 C2R 0.493671 0.837838
53 AMZ 0.493671 0.849315
54 6YZ 0.48913 0.90411
55 ANP 0.488889 0.90411
56 GAP 0.488889 0.853333
57 ADQ 0.484211 0.878378
58 5AL 0.483516 0.890411
59 ADP PO3 0.483146 0.901408
60 NIA 0.481481 0.78481
61 A22 0.478723 0.916667
62 ATF 0.478261 0.891892
63 AAM 0.47619 0.928571
64 1RB 0.47561 0.925373
65 9ZD 0.473684 0.868421
66 9ZA 0.473684 0.868421
67 5SV 0.473684 0.810127
68 SRP 0.473118 0.866667
69 93A 0.471264 0.792683
70 SON 0.471264 0.891892
71 RBZ 0.46988 0.885714
72 RGT 0.465347 0.917808
73 A3P 0.465116 0.928571
74 PMO 0.465116 0.913043
75 PTJ 0.464646 0.857143
76 ARU 0.463918 0.846154
77 MAP 0.463158 0.88
78 ALF ADP 0.462366 0.831169
79 ADP ALF 0.462366 0.831169
80 ADP BMA 0.459184 0.853333
81 FAI 0.458824 0.849315
82 JLN 0.458824 0.849315
83 8QN 0.458333 0.890411
84 OOB 0.458333 0.890411
85 LMS 0.457831 0.790123
86 ADP VO4 0.457447 0.890411
87 VO4 ADP 0.457447 0.890411
88 LAD 0.454545 0.822785
89 PAJ 0.453608 0.822785
90 4AD 0.453608 0.855263
91 A1R 0.453608 0.844156
92 AMO 0.453608 0.866667
93 A3R 0.453608 0.844156
94 NB8 0.45 0.833333
95 5GP 0.449438 0.866667
96 G 0.449438 0.866667
97 00A 0.44898 0.844156
98 AHX 0.44898 0.833333
99 DLL 0.44898 0.890411
100 A2P 0.448276 0.914286
101 DAL AMP 0.447917 0.864865
102 HFD 0.445652 0.88
103 25L 0.445545 0.916667
104 OAD 0.444444 0.878378
105 9X8 0.444444 0.855263
106 3UK 0.444444 0.878378
107 TAD 0.443396 0.822785
108 IMP 0.443182 0.890411
109 B5V 0.44 0.891892
110 PR8 0.44 0.8125
111 WAQ 0.44 0.844156
112 7D5 0.439024 0.837838
113 YAP 0.436893 0.88
114 B5Y 0.436893 0.88
115 1ZZ 0.435644 0.802469
116 3OD 0.435644 0.878378
117 ME8 0.435644 0.802469
118 BIS 0.435644 0.868421
119 FYA 0.435644 0.864865
120 JB6 0.435644 0.844156
121 TXA 0.435644 0.866667
122 XYA 0.434211 0.777778
123 ADN 0.434211 0.777778
124 RAB 0.434211 0.777778
125 GA7 0.433962 0.842105
126 XAH 0.432692 0.802469
127 26A 0.43038 0.746667
128 AOC 0.430233 0.780822
129 4UV 0.428571 0.855263
130 9SN 0.427184 0.833333
131 5AS 0.426966 0.744186
132 A A 0.425743 0.902778
133 V3L 0.425532 0.929577
134 FA5 0.423077 0.866667
135 B5M 0.423077 0.88
136 ATP A A A 0.423077 0.888889
137 G7M 0.422222 0.833333
138 6AD 0.421053 0.846154
139 7MD 0.420561 0.802469
140 4UU 0.420561 0.855263
141 MTP 0.417722 0.736842
142 MYR AMP 0.417476 0.780488
143 GTA 0.416667 0.825
144 3DH 0.416667 0.733333
145 IRN 0.415584 0.880597
146 TYR AMP 0.415094 0.855263
147 RVP 0.414634 0.833333
148 AHZ 0.412844 0.780488
149 6MD 0.4125 0.767123
150 G3A 0.411215 0.857143
151 G5P 0.407407 0.857143
152 AFH 0.407407 0.822785
153 TXD 0.405405 0.844156
154 4UW 0.405405 0.822785
155 6V0 0.405405 0.833333
156 5N5 0.405063 0.753425
157 8BR 0.404494 0.866667
158 PAP 0.404255 0.915493
159 DQV 0.40367 0.890411
160 A5A 0.402062 0.771084
161 AMP DBH 0.401869 0.853333
162 TXE 0.401786 0.844156
163 TYM 0.401786 0.866667
164 T5A 0.4 0.783133
165 5CD 0.4 0.763889
166 G5A 0.4 0.744186
167 AVV 0.4 0.833333
168 A4D 0.4 0.753425
169 LAQ 0.4 0.802469
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P9B; Ligand: GDP; Similar sites found with APoc: 533
This union binding pocket(no: 1) in the query (biounit: 1p9b.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2N NAG None
2 5LB3 ADP 1.13122
3 4J0Q GDP 1.15473
4 4OHY ANP 1.16009
5 5ZXD ATP 1.35747
6 2V58 LZJ 1.58371
7 1OS1 PYR 1.58371
8 1OS1 ATP 1.58371
9 3EC1 GDP 1.62602
10 6B4K ANP 1.62791
11 2GWH A3P 1.67785
12 3P4X ADP 1.69492
13 1ZC3 GNP 1.76991
14 1U8Z GDP 1.78571
15 4P3Y GDP 1.80995
16 3U6B GDP 1.80995
17 2HCJ GDP 1.80995
18 5W7Q GDP 1.80995
19 5JBQ GDP 1.80995
20 1D8T GDP 1.80995
21 4G5G GDP 1.80995
22 3U6K GDP 1.80995
23 2BVN GNP 1.80995
24 1WDT GTP 1.80995
25 1OYY AGS 1.80995
26 4YS0 ADP 1.80995
27 2FSH ANP 1.80995
28 4ZDJ UTP 1.80995
29 1GTE FAD 1.80995
30 1MKY GDP 1.82232
31 6A20 ADP 1.83066
32 1SKQ GDP 1.83908
33 4H1V GNP 1.89702
34 2NCD ADP 1.90476
35 1WF3 GNP 1.99336
36 2BO4 FLC 2.01511
37 5N9X THR 2.0362
38 1Q19 SSC 2.0362
39 5W75 GDP 2.04082
40 4LC1 GDP 2.07715
41 2A5J GDP 2.09424
42 4ZNL BEF ADP 2.18978
43 1ZCB GDP 2.20994
44 5UR1 YY9 2.2508
45 4DCT GDP 2.26244
46 4ZKD GDP 2.26244
47 5TSH ADP 2.26244
48 4A4Z ANP 2.26244
49 4REP FAD 2.26244
50 1KC7 PPR 2.26244
51 4YKG FAD 2.26244
52 2DPY ADP 2.28311
53 3A4M ADP 2.30769
54 1RRC ADP 2.32558
55 4RZ3 ADP 2.37288
56 6G14 G4P 2.38095
57 1G3M A3P 2.38095
58 1G3M PCQ 2.38095
59 4TQK NAG 2.46305
60 2OBM ADP 2.48869
61 1XMV ADP 2.48869
62 1H65 GDP 2.48869
63 1F5N GNP 2.48869
64 3VMF GTP 2.5
65 4P4T GDP 2.5
66 5CK5 GDP 2.53165
67 3ZS9 ADP ALF 2.54237
68 2WOJ ADP ALF 2.54237
69 5WC2 ADP 2.5463
70 1SVI GDP 2.5641
71 4FRZ ADP 2.59067
72 2XT3 ADP 2.61628
73 2I4I AMP 2.63789
74 5BYK A3P 2.7027
75 5BYK OAQ 2.7027
76 3COB ADP 2.71003
77 5H7J GCP 2.71493
78 5FG3 GDP 2.71493
79 4USQ FAD 2.77008
80 1TAD ALF 2.77778
81 1TAD GDP 2.77778
82 3KIF GDL 2.83019
83 4LPS GDP 2.89256
84 1G7S GDP 2.94118
85 2C77 GNP 2.96296
86 2C78 GNP 2.96296
87 2WIC GNP 2.99625
88 2Z5F A3P 3.02013
89 5MVR ADP 3.08642
90 4YJ1 ADP 3.08943
91 3AFN NAP 3.10078
92 2C7G ODP 3.16742
93 2W2X GSP 3.16742
94 2D7D ADP 3.16742
95 4PJ3 ANP 3.16742
96 4IHQ ADP 3.16742
97 1PUJ GNP 3.19149
98 3BER AMP 3.21285
99 4MKG AP5 3.22581
100 5FTB ANP 3.23326
101 5FHD ADP ALF 3.23326
102 3RWO GDP 3.24324
103 3DZD ADP 3.26087
104 5AHO TLA 3.27381
105 2B8W ALF 5GP 3.35366
106 2VWT PYR 3.37079
107 5U32 GDP 3.38983
108 1HK8 DGT 3.39367
109 3ZQ6 ADP ALF 3.39506
110 1SVK ALF GDP 3.39943
111 3DEF GDP 3.43511
112 3IO3 ADP 3.44828
113 6FA4 GNP 3.46821
114 3A1S GDP 3.48837
115 5XKT GNP 3.5
116 4V03 ADP 3.50195
117 5H7K GDP 3.52645
118 1YZQ GNP 3.52941
119 2G77 GDP 3.53535
120 5KSZ GCP 3.53774
121 5G3Y ADP 3.53982
122 1Z2A GDP 3.57143
123 1GUA GNP 3.59281
124 3X1Z GNP 3.59281
125 2IS6 ADP 3.61991
126 2ZPA ADP 3.61991
127 3B9Q MLI 3.64238
128 3E70 GDP 3.65854
129 1Z06 GNP 3.7037
130 6AU6 GDP 3.71353
131 5L3R GCP 3.75427
132 4PX9 ADP 3.76712
133 1ZEI CRS 3.77358
134 2FH5 GTP 3.78378
135 5K5Z ANP 3.82166
136 4AG5 ADP 3.82653
137 2GK6 ADP 3.84615
138 1B0U ATP 3.84615
139 3QVP FAD 3.84615
140 5C9P FUC 3.84615
141 2BEK ATP 3.89105
142 2O0J ADP 3.8961
143 3AB4 THR 3.93258
144 1Y3A GDP 3.95137
145 2OM2 GDP 4
146 2F9L GDP 4.0201
147 5WRI A3P 4.0625
148 2GKS ADP 4.0724
149 1G16 GDP 4.11765
150 1BH2 GSP 4.12698
151 3Q85 GNP 4.14201
152 3RAB GNP 4.14201
153 1OIV GDP 4.18848
154 1OIX GDP 4.18848
155 3CNL GNP 4.19847
156 2AWN ADP 4.19948
157 4KVG GTP 4.23077
158 1TL2 NDG 4.23729
159 1RJ9 GCP 4.27632
160 5WRJ A3P 4.29043
161 3FV1 DYH 4.29688
162 4BQS ADP 4.29864
163 5MZN ADP 4.29864
164 4IOK ADP 4.29864
165 4IOK XPO 4.29864
166 1D5C GDP 4.32099
167 2XZ9 PYR 4.32099
168 2PZE ATP 4.36681
169 2Y65 ADP 4.38356
170 3MGB PAP 4.38871
171 1GXU 2HP 4.3956
172 2HF9 GSP 4.42478
173 3ITJ FAD 4.43787
174 5JCZ GDP 4.46927
175 2Y8E GNP 4.46927
176 5NM7 GLY 4.51128
177 2P39 SCR 4.51613
178 4LX0 BEF GDP 4.51977
179 4KBF AMP 4.52489
180 4LYA ATP 4.52489
181 1W0J ADP 4.52489
182 4IP7 FLC 4.52489
183 1F6B GDP 4.54545
184 5XC5 GTP 4.54545
185 2IYL GDP 4.57746
186 4MKF AP5 4.60829
187 1KK1 GNP 4.63415
188 2PL3 ADP 4.66102
189 4V0K GDP 4.73373
190 2ZPT A3P 4.74576
191 4GOJ GNP 4.7619
192 1FQK GDP 4.7619
193 5OCG GNP 4.7619
194 3LRE ADP 4.78873
195 1GOJ ADP 4.78873
196 1KAO GDP 4.79042
197 1VG0 GDP 4.83092
198 1VG8 GNP 4.83092
199 2BME GNP 4.83871
200 4M9Q GNP 4.84582
201 1F9V ADP 4.89914
202 1RYH GNP 4.92611
203 6CRK GDP 4.92754
204 4TMZ GSP 4.92754
205 2A9K GDP 4.93274
206 1KY3 GDP 4.94506
207 2W58 ADP 4.9505
208 1IHU AF3 4.97738
209 1IHU ADP 4.97738
210 5M04 GDP 5
211 4NON GDP 5
212 1GP2 GDP 5
213 5H68 AGS 5
214 3EZ2 ADP 5.02513
215 1YZG GDP 5.02793
216 6DEF GCP 5.11509
217 4R43 GDP 5.20362
218 2FFQ GSP 5.26316
219 4K81 GTP 5.26316
220 2WJG GDP 5.31915
221 1ZJ6 G3D 5.34759
222 3SBD GNP 5.34759
223 5E95 GDP 5.35714
224 1GWN GTP 5.36585
225 1MH1 GNP 5.37634
226 3CPJ GDP 5.38117
227 6D5V GNP 5.38922
228 6D5M GNP 5.38922
229 1VG1 GDP 5.40541
230 1VG9 GDP 5.40541
231 5KDO GDP 5.40541
232 1CLU DBG 5.42169
233 3KUD GDP 5.42169
234 1WQ1 GDP 5.42169
235 1NVV GNP 5.42169
236 3DDC GNP 5.42169
237 2HT6 GDP 5.42986
238 1TQ4 GDP 5.42986
239 1GOT GDP 5.47945
240 1SQ5 ADP 5.51948
241 3BFV ADP 5.53506
242 5L3W GDP 5.55556
243 5OEC GDP 5.58376
244 2FJU GSP 5.61798
245 3B7G ANP 5.65611
246 1CS4 GSP 5.66038
247 4KFU ACP 5.66038
248 2WKQ GTP 5.72289
249 1T5C ADP 5.73066
250 4U00 ADP 5.7377
251 4B47 GDP 5.78512
252 5G41 AP5 5.8296
253 5IRR GSP 5.84416
254 3W5J GDP 5.88235
255 5TIV A3P 5.92885
256 1NRJ GTP 5.9633
257 1VKJ A3P 5.96491
258 5W76 GDP 5.97403
259 1M7B GTP 5.97826
260 4NU0 AP5 5.99078
261 2CK3 ANP 6
262 2WJH FLC 6.0241
263 2WJH GDP 6.0241
264 6CWH 6LA 6.04396
265 5E5U MLI 6.06061
266 1M7G AV2 6.1086
267 3NHB ADP 6.1086
268 1Z0F GDP 6.14525
269 3Q9L ATP 6.15385
270 4WOP CTP 6.22222
271 1DAK ADP 6.25
272 1DAK DPU 6.25
273 4D0G GTP 6.28571
274 2A5F GTP 6.28571
275 1D2E GDP 6.29723
276 5J1J ANP 6.31579
277 3GJ3 GDP 6.33484
278 3GJ0 GDP 6.33484
279 3GJ8 GDP 6.33484
280 3GJ5 GDP 6.33484
281 6CS8 F9Y 6.33484
282 3ZIA ADP 6.34921
283 3ZIA ATP 6.34921
284 4YLG GDP 6.35838
285 3WXM GTP 6.38298
286 2D2F ADP 6.4
287 4AZ3 S35 6.45161
288 1EK0 GNP 6.47059
289 3CH5 GDP 6.48148
290 4KAX GTP 6.50888
291 4TTQ ATP 6.51163
292 5Z2M GTP 6.52174
293 1G4U GDP 6.52742
294 3DKP ADP 6.53061
295 2RCN GDP 6.56109
296 5YKT PMP 6.56109
297 4PPF FLC 6.57143
298 1FP6 ADP 6.57439
299 1KSH GDP 6.57895
300 2ZR9 DTP 6.59026
301 3LXN MI1 6.60377
302 5TB5 GDP 6.66667
303 3H4S ADP 6.66667
304 4PC3 GDP 6.73759
305 5TAR GDP 6.75676
306 1BG2 ADP 6.76923
307 2Q7V FAD 6.76923
308 3QVV A3P 6.77966
309 3QVV 3QV 6.77966
310 1YTM ATP 6.78733
311 3N5C GDP 6.79012
312 3PCR GTP 6.79012
313 2BCG GDP 6.79612
314 1AKY AP5 6.81818
315 1Z0A GDP 6.89655
316 1LFD GNP 6.89655
317 5B4T 3HR 6.92308
318 5B4T NAD 6.92308
319 3GJX GTP 6.94444
320 1HTW ADP 6.96203
321 2KIN ADP 7
322 5L3V GDP 7.02341
323 1YZN GNP 7.02703
324 4BAS GNP 7.03518
325 5L3S GNP 7.04698
326 2XTZ GSP 7.06215
327 3V0H I3P 7.07965
328 5O2T GSP 7.10059
329 4QOS ADP 7.16981
330 3T5G GDP 7.18232
331 4NCN GTP 7.22101
332 2ZJ5 ADP 7.23982
333 1YRB GDP 7.25191
334 6BSX E7S 7.30337
335 6BSX GDP 7.30337
336 3WYF GTP 7.30594
337 3M1I GTP 7.30594
338 1G6H ADP 7.393
339 1ION ADP 7.40741
340 5YT0 GDP 7.41758
341 2VVG ADP 7.42857
342 4GBM A3P 7.43034
343 1G7C 5GP 7.44681
344 2GCN GDP 7.46269
345 2GCO GNP 7.46269
346 3MD0 GDP 7.46606
347 4RD0 GDP 7.46606
348 5XDT MB3 7.46753
349 5UIV ADP 7.48899
350 5GOE GDP 7.58294
351 5YV5 ADP 7.69231
352 1YQT ADP 7.69231
353 4E03 ADP 7.76699
354 3T34 GDP 7.77778
355 1VHT BA3 7.79817
356 2ODE ALF GDP 7.80142
357 4JLV ADP 7.80669
358 5KSP GDP 7.89474
359 5UQW GDP 7.93651
360 1WA5 GTP 7.95455
361 2CBZ ATP 8.01688
362 4HDO GNP 8.07453
363 4HDQ GNP 8.07453
364 2OG2 MLI 8.07799
365 6BCB GSP 8.10811
366 6BCA GSP 8.10811
367 1HE1 GDP 8.14815
368 3TK1 GDP 8.18182
369 1CXZ GSP 8.24176
370 1DAR GDP 8.24891
371 1LVG ADP 8.37104
372 4WZA ADP 8.37104
373 4WZA ACP 8.37104
374 2J0V GDP 8.49057
375 3KJI ADP 8.66142
376 3TKL GTP 8.67347
377 1Y63 ADP 8.69565
378 2GJ8 ALF GDP 8.72093
379 5WLB GNP 8.82353
380 1Z08 GNP 8.82353
381 5LTJ ADP 8.82353
382 1FZQ GDP 8.83978
383 1IZC PYR 8.84956
384 5SZH GNP 8.86699
385 5O74 GDP 8.88889
386 1DS6 GDP 8.88889
387 2EW1 GNP 8.95522
388 5KUT GDP 8.99471
389 1ZD9 GDP 9.04255
390 4KCT PYR 9.04977
391 5UWQ GNP 9.09091
392 5UWR GNP 9.09091
393 5UWH GNP 9.09091
394 5DIF GNP 9.09091
395 6CIT GNP 9.09091
396 5UWW GNP 9.09091
397 5DHF GNP 9.09091
398 5UWJ GNP 9.09091
399 5UWP GNP 9.09091
400 5UWS GNP 9.09091
401 1UAD GNP 9.09091
402 3T1O GDP 9.27602
403 3T12 GDP ALF 9.27602
404 3REF GDP 9.27835
405 1G3Q ADP 9.2827
406 4HAT GNP 9.28571
407 3WYG GTP 9.34066
408 3SFV GDP 9.39227
409 1M2O GNP 9.47368
410 1V8K ANP 9.5122
411 1FQJ GDP 9.52381
412 5DI9 GNP 9.52381
413 4U5X GNP 9.55056
414 4R98 GNH 9.5941
415 1S8F GDP 9.60452
416 1AQU A3P 9.76431
417 4ZI2 GNP 9.77444
418 5JCP GDP ALF 9.7852
419 4X8O AP5 9.81308
420 5WDR GNP 9.94152
421 4CVN ADP 9.94764
422 2PEZ DAT 10.0559
423 3E5H GNP 10.1124
424 6D5E GNP 10.1796
425 6BVK GNP 10.1796
426 6BVJ GNP 10.1796
427 6D5G GNP 10.1796
428 6BVL GNP 10.1796
429 6D5L GNP 10.1796
430 6D59 GNP 10.1796
431 6D5J GNP 10.1796
432 6D55 GNP 10.1796
433 6BVI GNP 10.1796
434 6D56 GNP 10.1796
435 6D5H GNP 10.1796
436 6BVM GNP 10.1796
437 4HI0 GDP 10.2362
438 3NKV GNP 10.2857
439 3KIH GDL 10.3093
440 2ZEJ GDP 10.3261
441 5HCN GCP 10.3448
442 1JJ7 ADP 10.3846
443 2EFE GNH 10.4972
444 4GOX A3P 10.5431
445 3WY9 GDP 10.5991
446 3WYA GDP 10.5991
447 2V7Q ATP 10.6061
448 2V7Q ADP 10.6061
449 4DKX GDP 11.1111
450 1TU3 GNP 11.1111
451 1I4D GDP 11.1607
452 1R2Q GNP 11.1765
453 6AIC AMP 11.215
454 3FWY ADP 11.465
455 3DOE GTP 11.5152
456 2X77 GDP 11.6402
457 3IIJ ADP 11.6667
458 1YVD GNP 11.8343
459 1IBR GNP 11.9048
460 4C4P GNP 12.1495
461 2QTV GNP 12.2449
462 1Z0J GTP 12.3529
463 1OW3 GDP 12.4352
464 2CJW GDP 12.5
465 3Q72 GNP 12.6506
466 1MR3 G3D 12.7072
467 5IRC GDP 12.9032
468 4D0N GDP 12.973
469 3LXR GDP 12.973
470 5HPY GDP 12.973
471 2OFW ADX 12.9808
472 1Z0K GTP 13.0435
473 1KMQ GNP 13.0435
474 4XOI GTP 13.3333
475 4XSH GSP 13.4078
476 2CDN ADP 13.4328
477 1X1R GDP 13.4831
478 1TX4 ALF GDP 13.5593
479 1JJV ATP 14.0777
480 3CX8 GSP 14.2857
481 4LZB URA 14.7059
482 4XVU ATP 14.7465
483 4XTR ATP 14.7465
484 4XTR ADP 14.7465
485 1NF3 GNP 14.8718
486 2XTN GTP 14.9573
487 4DID GDP 15.0259
488 3GJ4 GDP 15.1515
489 1GRN GDP 15.1832
490 2NGR GDP 15.1832
491 1A4R GNH 15.1832
492 4ITR GDP 15.1832
493 1A4R GDP 15.1832
494 2WMO GTP 15.2632
495 6BC0 GSP 15.3333
496 4YGM URA 15.5172
497 5UPK GNP 15.6757
498 4YC7 GNP 16.0221
499 5LEF GTP 16.6667
500 1M26 GAL A2G 17.2932
501 5DI3 GNP 17.2973
502 3IUY AMP 17.5439
503 3MJH GTP 17.6471
504 2J59 GTP 18.0723
505 1O3Y GTP 18.0723
506 1J2J GTP 18.0723
507 1RE0 GDP 18.2927
508 1S9D GDP 18.2927
509 3BC1 GNP 18.6441
510 5EE5 GTP 18.7134
511 1UPT GTP 18.7134
512 2C5L GTP 18.8034
513 3QBT GNP 18.9655
514 4LHW GNP 18.9655
515 3TNF GNP 18.9655
516 2UZI GTP 19.2982
517 3VX3 ADP 19.3548
518 3PQC GDP 19.4872
519 1R4A GNP 19.6078
520 5BXQ GDP 19.685
521 3AB3 GDP 20.3252
522 1E96 GTP 21.1823
523 2D7C GTP 21.4286
524 2HV8 GTP 21.875
525 3GJ7 GDP 22.449
526 5UWO GNP 25
527 1XX6 ADP 25.6544
528 2W83 GTP 27.2727
529 6C90 ADP 28.8462
530 5UWU GNP 30
531 5UWT GNP 34.7826
532 2QN6 GDP 38.8889
533 3AQ4 GDP 40.7609
Pocket No.: 2; Query (leader) PDB : 1P9B; Ligand: GDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1p9b.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1P9B; Ligand: HDA; Similar sites found with APoc: 192
This union binding pocket(no: 3) in the query (biounit: 1p9b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3IHG FAD 1.13122
2 1S16 ANP 1.53846
3 3NYQ AMP 1.58371
4 3NYQ MCA 1.58371
5 3UZO GLU 1.67598
6 1ZC3 GNP 1.76991
7 3RUV ANP 1.80995
8 3G5S FAD 1.80995
9 2A8X FAD 1.80995
10 1WDT GTP 1.80995
11 1GZ4 ATP 1.80995
12 3T31 DCQ 1.83066
13 2RDK MAN MAN 1.83486
14 3E4O SIN 1.96721
15 2PI8 NAG NAG NAG NAG NAG NAG 2.02899
16 5W75 GDP 2.04082
17 4I4Z 2NE 2.18182
18 1LTH NAD 2.19436
19 5WS9 AMP 2.26244
20 3NJ4 NAD 2.29885
21 2O07 MTA 2.30263
22 2O07 SPD 2.30263
23 3WXB NDP 2.50896
24 3ZS9 ADP ALF 2.54237
25 1HYH NAD 2.589
26 5TUK FAD 2.69608
27 4J4H NAI 2.7027
28 2WPF WPF 2.71493
29 2WPF FAD 2.71493
30 1O5O U5P 2.71493
31 4JNE ATP 2.71493
32 2BRY FAD 2.71493
33 4OLT GCS GCS GCS GCS GCS GCS 2.82258
34 2VAR ANP 2.8754
35 1ZVW PRP 2.91005
36 4Z94 ATP 2.91777
37 1FEC FAD 2.94118
38 4QIJ 1HA 2.99401
39 3FPZ AHZ 3.06748
40 3GZ8 APR 3.08642
41 2AHR NAP 3.0888
42 5XQL C2E 3.09278
43 3CTY FAD 3.1348
44 3WXL ADP 3.16742
45 4B9Q ATP 3.16742
46 1LLU NAD 3.21637
47 3OZV FAD 3.22581
48 3KLJ FAD 3.37662
49 1SVK ALF GDP 3.39943
50 3ZFD ANP 3.4188
51 5YVR NDP 3.42298
52 6FA4 GNP 3.46821
53 2G77 GDP 3.53535
54 3AJ4 SEP 3.57143
55 1GUA GNP 3.59281
56 3X1Z GNP 3.59281
57 4AVB CMP 3.6036
58 2Q1W NAD 3.6036
59 6F3M NAD 3.61991
60 1ME8 RVP 3.61991
61 1N0U SO1 3.61991
62 3B9Q MLI 3.64238
63 5L3R GCP 3.75427
64 3L6R MLI 3.75723
65 2FH5 GTP 3.78378
66 5K5Z ANP 3.82166
67 4CNK FAD 3.83632
68 2VVL FAD 3.84615
69 2BEK ATP 3.89105
70 1LVW TYD 4.0678
71 5N5U 7N8 4.0724
72 3NTD COA 4.0724
73 1OX5 1PR 4.0724
74 1H5R THM 4.09556
75 1IIM TTP 4.10959
76 3R5Z F42 4.13793
77 5EYP GDP 4.14201
78 1I1Q TRP 4.16667
79 1XTT U5P 4.16667
80 1OIX GDP 4.18848
81 4KVG GTP 4.23077
82 1W5F G2P 4.24929
83 4LX0 BEF GDP 4.51977
84 1I9G SAM 4.52489
85 3IID APR 4.73934
86 5O4J 9KH 4.74453
87 5O4J PJL 4.74453
88 5O4J SAH 4.74453
89 1XAJ NAD 4.75113
90 1XAJ CRB 4.75113
91 1VG8 GNP 4.83092
92 4M9Q GNP 4.84582
93 4UTG ANP 4.91329
94 2R40 EPH 4.94297
95 1LOB MMA 4.97238
96 5UAO FAD 4.97738
97 5NC1 NAG 5.06329
98 6H3O FAD 5.20362
99 4K81 GTP 5.26316
100 3R5W F42 5.35714
101 1NVV GNP 5.42169
102 1K0E TRP 5.42986
103 2YVJ FAD 5.50459
104 1KGZ PRP 5.50725
105 5A1S FLC 5.65611
106 2OZ5 7XY 5.74324
107 4DXD GDP 5.80808
108 1Q7E MET 5.84112
109 1YS4 NAP 5.9322
110 1NRJ GTP 5.9633
111 4WK1 2BA 6.20155
112 1D2E GDP 6.29723
113 3WXM GTP 6.38298
114 2I5F 5IP 6.42202
115 4KAX GTP 6.50888
116 5Z2M GTP 6.52174
117 2QHD DAO 6.55738
118 1PN0 IPH 6.56109
119 1PN0 FAD 6.56109
120 1KSH GDP 6.57895
121 5K0A FAD 6.66667
122 3QVV 3QV 6.77966
123 5XJ7 87O 6.78733
124 3PCR GTP 6.79012
125 3R5Y F42 6.80272
126 4A62 ANP 6.875
127 1LFD GNP 6.89655
128 1G6O ADP 6.9697
129 1YZN GNP 7.02703
130 5L3S GNP 7.04698
131 3AD8 NAD 7.07071
132 5O2T GSP 7.10059
133 5N0J FAD 7.12251
134 3WYF GTP 7.30594
135 1ION ADP 7.40741
136 5XDT GDP 7.46753
137 1JBW ACQ 7.71028
138 3LF0 ATP 7.89474
139 3WQT ANP 7.91855
140 1WA5 GTP 7.95455
141 4HDO GNP 8.07453
142 4HDQ GNP 8.07453
143 2GAG NAD 8.08081
144 2XG9 NOJ GLC 8.59729
145 3TKL GTP 8.67347
146 2GJ8 ALF GDP 8.72093
147 5J1S ATP 8.78661
148 1JQ3 AAT 8.82353
149 5SZH GNP 8.86699
150 6ACS CIT 8.91473
151 5UWR GNP 9.09091
152 5DIF GNP 9.09091
153 1UAD GNP 9.09091
154 4U5X GNP 9.55056
155 3TWO NDP 9.72851
156 1AQU A3P 9.76431
157 2B3D FAD 9.80392
158 5WDR GNP 9.94152
159 1BZL FAD 9.95475
160 4GKV NAD 9.95475
161 5ZAI COA 10.0386
162 3NKV GNP 10.2857
163 4CNE SAH 10.4869
164 1C3M MAN MAN 10.8844
165 1TU3 GNP 11.1111
166 3BFX A3P 11.4865
167 3DOE GTP 11.5152
168 1YVD GNP 11.8343
169 3BY9 SIN 11.9231
170 4RQU NAD 12.2667
171 1OFS SUC 12.2995
172 4CQK PIO 12.766
173 4XVU ATP 14.7465
174 4YV5 SVR 15.5738
175 6ASY ATP 16.5158
176 2BQP GLC 16.6667
177 5DI3 GNP 17.2973
178 2BTO GTP 17.5926
179 1O3Y GTP 18.0723
180 1J2J GTP 18.0723
181 1LES GLC FRU 18.232
182 3BC1 GNP 18.6441
183 5EE5 GTP 18.7134
184 1UPT GTP 18.7134
185 2C5L GTP 18.8034
186 4LHW GNP 18.9655
187 3TNF GNP 18.9655
188 3QBT GNP 18.9655
189 2UZI GTP 19.2982
190 1R4A GNP 19.6078
191 3AB3 GDP 20.3252
192 2W83 GTP 27.2727
Pocket No.: 4; Query (leader) PDB : 1P9B; Ligand: HDA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1p9b.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1P9B; Ligand: IMO; Similar sites found with APoc: 29
This union binding pocket(no: 5) in the query (biounit: 1p9b.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2PW0 TRC 1.76322
2 4I7E PEP 2.19436
3 3PA8 621 2.3622
4 4HZ0 1AV 2.8169
5 3GCM 5GP 2.94118
6 1ON3 DXX 3.16742
7 2IOR ADP 3.40426
8 4XDA RIB 3.8835
9 2HIM ASP 4.18994
10 1MXI SAH 4.375
11 5X2N ALA 4.52489
12 2O1V ADP 4.52489
13 3BY8 MLT 4.92958
14 4XW2 SIM 5.05051
15 3ZUY TCH 5.26316
16 4RKX 3S9 5.36398
17 4H4D 10E 6.19195
18 1G4U AF3 6.52742
19 3QMN A3P 6.97674
20 1H74 ILE 7.09459
21 3TUR DGL 7.66551
22 5B19 TLA 10.3448
23 1RZM E4P 10.9467
24 4ZV1 ARG 11.1588
25 1OFS SUC 12.2995
26 4KQP GLN 13.7931
27 4MA7 P2Z 14.9123
28 2BQP GLC 16.6667
29 4JLS 3ZE 17.7632
Pocket No.: 6; Query (leader) PDB : 1P9B; Ligand: IMO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1p9b.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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