-->
Receptor
PDB id Resolution Class Description Source Keywords
3LDW 2.47 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PLASMODIUM VIVAX GERANYLGERANYLPYROPHOS SYNTHASE PVX_092040 WITH ZOLEDRONATE AND IPP BOUND PLASMODIUM VIVAX MALARIA FARNESYL PYROPHOSPHATE SYNTHASE DIPHOSPHATE LYASESTRUCTURAL GENOMICS ISOPRENE BIOSYNTHESIS TRANSFERASE STGENOMICS CONSORTIUM SGC
Ref.: MOLECULAR CHARACTERIZATION OF A NOVEL GERANYLGERANY PYROPHOSPHATE SYNTHASE FROM PLASMODIUM PARASITES. J.BIOL.CHEM. V. 286 3315 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1105;
B:1106;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL A:1106;
B:1105;
D:1105;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
IPE A:1101;
B:1101;
C:1101;
D:1101;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
246.092 C5 H12 O7 P2 CC(=C...
MG A:1102;
A:1103;
A:1104;
B:1102;
B:1103;
B:1104;
C:1102;
C:1103;
C:1104;
D:1102;
D:1103;
D:1104;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
ZOL A:397;
B:397;
C:397;
D:397;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 10.7 nM
272.09 C5 H10 N2 O7 P2 c1cn(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LDW 2.47 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF PLASMODIUM VIVAX GERANYLGERANYLPYROPHOS SYNTHASE PVX_092040 WITH ZOLEDRONATE AND IPP BOUND PLASMODIUM VIVAX MALARIA FARNESYL PYROPHOSPHATE SYNTHASE DIPHOSPHATE LYASESTRUCTURAL GENOMICS ISOPRENE BIOSYNTHESIS TRANSFERASE STGENOMICS CONSORTIUM SGC
Ref.: MOLECULAR CHARACTERIZATION OF A NOVEL GERANYLGERANY PYROPHOSPHATE SYNTHASE FROM PLASMODIUM PARASITES. J.BIOL.CHEM. V. 286 3315 2011
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3LDW Ki = 10.7 nM ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
2 3PH7 - GRG C20 H36 O7 P2 CC(=CCC/C(....
3 5HN7 ic50 = 120 uM 04M C26 H35 N O7 S CCCCCCCCOc....
4 5HN9 ic50 = 50 uM 04W C24 H31 N O6 CCCCCCCCCC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 3LDW Ki = 10.7 nM ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
2 3PH7 - GRG C20 H36 O7 P2 CC(=CCC/C(....
3 5HN7 ic50 = 120 uM 04M C26 H35 N O7 S CCCCCCCCOc....
4 5HN9 ic50 = 50 uM 04W C24 H31 N O6 CCCCCCCCCC....
50% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1ZW5 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
2 1YV5 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
3 4RXA ic50 = 1.8 uM 3F2 C32 H28 N6 O2 c1cc(cc(c1....
4 3N49 ic50 = 7 uM 3N4 C14 H10 O2 S c1ccc2c(c1....
5 5JV2 ic50 = 100 uM 6O3 C14 H13 N2 O3 P S Cc1ccc(cc1....
6 3N5J ic50 = 8 uM GO1 C11 H7 Cl2 N O4 c1c(cc(c2c....
7 2F9K - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
8 3N45 - PO4 O4 P [O-]P(=O)(....
9 4LPH ic50 = 4.5 uM YL3 C14 H14 N3 O3 P S Cc1ccc(cc1....
10 5JV1 ic50 = 0.86 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
11 4LFV - YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
12 4LPG ic50 = 0.022 uM 1MV C14 H15 N3 O6 P2 S Cc1ccc(cc1....
13 2F94 - BFQ C9 H23 N O7 P2 CCCCC[N@](....
14 3N6K ic50 = 0.2 uM BFH C15 H11 N O4 c1ccc2c(c1....
15 5JV0 ic50 = 1.1 uM YL5 C21 H19 F N3 O3 P S Cc1ccc(cc1....
16 4H5E Kd = 0.86 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
17 3N5H ic50 = 2 uM GO0 C11 H7 Cl2 N O4 c1cc(c2c(c....
18 4H5D Kd = 0.58 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
19 2F8C - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
20 4P0W - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
21 3N46 - PO4 O4 P [O-]P(=O)(....
22 4P0X - 1WO C20 H26 O3 CC(C)C1=CC....
23 4H5C - PO4 O4 P [O-]P(=O)(....
24 5DGN ic50 = 1.2 uM 59Y C20 H13 N O2 c1ccc2c(c1....
25 4DEM ic50 = 28 nM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
26 3N1V ic50 > 500 uM 3N1 C11 H9 Cl O2 S Cc1c2cc(cc....
27 2OPM - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
28 5JA0 Kd = 5.3 uM FPP C15 H28 O7 P2 CC(=CCC/C(....
29 1YQ7 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
30 6B07 - C6M C10 H18 N O6 P2 CCC[N]1=C(....
31 6B04 - C6J C8 H14 N O6 P2 C[N]1=C(C=....
32 2Q58 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
33 3LDW Ki = 10.7 nM ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
34 3PH7 - GRG C20 H36 O7 P2 CC(=CCC/C(....
35 5HN7 ic50 = 120 uM 04M C26 H35 N O7 S CCCCCCCCOc....
36 5HN9 ic50 = 50 uM 04W C24 H31 N O6 CCCCCCCCCC....
37 1UBY - DMA C5 H12 O7 P2 CC(=CCO[P@....
38 1UBX - FPP C15 H28 O7 P2 CC(=CCC/C(....
39 1UBW - GPP C10 H20 O7 P2 CC(=CCC/C(....
40 4K10 Kd = 119.5 nM NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
41 4RXE ic50 = 230 nM 3YQ C7 H12 N2 O6 P2 Cc1cccnc1N....
42 2EWG - M0N C9 H12 N2 O7 P2 c1ccn2c(c1....
43 5AFX ic50 = 1.2 uM PVZ C14 H29 N2 O7 P2 CCCCCCCCCn....
44 3DYH - 721 C11 H20 N O7 P2 CCCCOc1ccc....
45 2I19 - 1BY C7 H12 N2 O6 P2 c1ccnc(c1)....
46 3EGT Ki = 32 nM 722 C14 H26 N O7 P2 CCCCCCCOc1....
47 3EFQ - 714 C15 H28 N O7 P2 CCCCCCCCOc....
48 4RXD ic50 = 300 nM RIS C7 H11 N O7 P2 c1cc(cnc1)....
49 4RXC ic50 ~ 33 uM HRX C8 H13 N O7 P2 c1cc(cnc1)....
50 3DYG - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
51 2P1C Ki = 21 nM GG3 C14 H25 N O7 P2 C[N@](CCCC....
52 4DXJ ic50 = 38 nM 0M9 C5 H15 N O6 P2 CCCNCC(P(=....
53 3ICN - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
54 3ICK - IPR C5 H14 O7 P2 CC(C)CCO[P....
55 4DWB ic50 = 1.84 uM 0M7 C7 H19 N O6 P2 CCCCCNCC(P....
56 4DWG ic50 = 58 nM 0M8 C9 H23 N O6 P2 CCCCCCCNCC....
57 3ICM - P2H C13 H16 N O7 P2 c1ccc(cc1)....
58 3ICZ - PB6 C11 H18 N O6 P2 CC/C=C/c1c....
59 1YHL - RIS C7 H11 N O7 P2 c1cc(cnc1)....
60 3IBA - SO4 O4 S [O-]S(=O)(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IPE; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 IPE 1 1
2 IP8 0.617647 0.918919
3 0O3 0.589744 0.871795
4 0CJ 0.536585 0.780488
5 P23 0.527778 0.815789
6 ISY 0.487805 0.85
7 DED 0.487179 0.653061
8 IPR 0.475 0.820513
9 P25 0.463415 0.825
10 P22 0.444444 0.710526
11 43W 0.439024 0.789474
12 0CH 0.439024 0.731707
13 EIP 0.431818 0.846154
14 0JX 0.428571 0.810811
15 DMA 0.428571 0.794872
16 0K2 0.418605 0.74359
17 BHI 0.413043 0.767442
18 DP6 0.408163 0.785714
Ligand no: 2; Ligand: ZOL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ZOL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LDW; Ligand: IPE; Similar sites found with APoc: 28
This union binding pocket(no: 1) in the query (biounit: 3ldw.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1YKD CMP 1.76768
2 4B0T ADP 1.76768
3 5BYK A3P 1.9305
4 5BYK OAQ 1.9305
5 6HOY TSN 1.98676
6 5GUE GGS 2.1148
7 5H5F SAM 2.13675
8 2C5A NAD 2.37467
9 2C5A GDC 2.37467
10 4ANP 3QI 2.46914
11 5MWY YNU 2.62295
12 2AEL SAZ 2.6738
13 5J60 FAD 3.4375
14 5ZB0 TYD 3.53535
15 5ZB0 ADP 3.53535
16 4OKZ 3E9 3.83562
17 4PIO AVI 4.64396
18 1F9A ATP 4.7619
19 3ND6 ATP 5.26316
20 1FIQ MTE 5.42857
21 3NRZ HPA 6.22951
22 1RQJ RIS 8.3612
23 3WJO IPE 30.8605
24 2Z7I 742 31.7647
25 3KRO PPV 37.9661
26 3KRO DST 37.9661
27 3KRO IPE 37.9661
28 1YHM AHD 46.4088
Pocket No.: 2; Query (leader) PDB : 3LDW; Ligand: ZOL; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 3ldw.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1GQG DCD 2
3 2Q6B HR2 2.0202
4 5GUE GGS 2.1148
5 1Y1P NMN AMP PO4 2.33918
6 3ETG GWD 2.52525
7 2C6Q NDP 2.849
8 4UDB CV7 2.94118
9 2NX1 PEP 3.74532
10 2J62 GSZ 3.78788
11 4OKZ 3E9 3.83562
12 3OZV FAD 4.54545
13 4KWD JF2 4.77707
14 2ZCQ B65 4.77816
15 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 5
16 2CHN NGT 5.05051
17 5ABH YWN 5.30303
18 1RQJ RIS 8.3612
19 2Z77 HE7 9.35252
20 1QV1 CZH 9.74359
21 4P6W MOF 11.5079
22 3WJO IPE 30.8605
23 2Z7I 742 31.7647
24 4UMJ BFQ 35.473
25 3KRO IPE 37.9661
26 3KRO DST 37.9661
27 1YHM AHD 46.4088
Pocket No.: 3; Query (leader) PDB : 3LDW; Ligand: IPE; Similar sites found with APoc: 83
This union binding pocket(no: 3) in the query (biounit: 3ldw.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3CEV ARG 1.67224
3 3EE4 MYR 1.85759
4 4O4Z N2O 1.94805
5 3WUC GLC GAL 2.18978
6 1RZM PEP 2.36686
7 4WGF HX2 2.43902
8 1YRX FMN 2.47934
9 4J26 EST 2.5
10 2BHW NEX 2.58621
11 1OYJ GSH 2.5974
12 5B0I BOG 2.62391
13 4PTN PYR 2.62391
14 3KFC 61X 2.7668
15 3V1V GST 2.77778
16 5LX9 OLB 2.9316
17 6CB2 OLC 3.0303
18 5UC9 MYR 3.09735
19 3TL1 JRO 3.14465
20 4BJZ P3A 3.28283
21 4BJZ FAD 3.28283
22 4V1F BQ1 3.48837
23 5DZ2 212 3.5503
24 4MLN ODV 3.57143
25 3VRV YSD 3.69004
26 5CKS GAL 3.7037
27 5X3R 7Y3 3.90244
28 4Q0A 4OA 3.97351
29 1Q7E MET 4.29293
30 3FAL REA 4.54545
31 6A5Y 9CR 4.62185
32 5Y02 MXN 4.6729
33 3B6C SDN 4.70085
34 4KWD JF2 4.77707
35 2ZCQ B65 4.77816
36 2D5X L35 4.79452
37 3G08 FEE 5.05051
38 3DBX PLM 5.05051
39 4JIE BMA 5.05051
40 3HUJ AGH 5.05051
41 1JGS SAL 5.07246
42 2XN5 FUN 5.14286
43 5OCM 9RH 5.15464
44 5DXG EST 5.36398
45 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 5.43933
46 4MGA 27L 5.4902
47 5EE7 5MV 5.53097
48 4TV1 36M 5.57769
49 2QCX PF1 5.70342
50 2WOR 2AN 6
51 1T9D P25 6.81818
52 1T9D FAD 6.81818
53 1T9D 1MM 6.81818
54 1T9D PYD 6.81818
55 1X0P FAD 6.99301
56 5OCA 9QZ 7.56302
57 2HZL PYR 7.67123
58 1RTW MP5 8.63636
59 4OGQ 7PH 8.75
60 4C1K PEP 8.77863
61 4UCC ZKW 9.01288
62 4RJD TFP 9.09091
63 6BVK EAV 9.58084
64 6BVM EBV 9.58084
65 6BVL EBY 9.58084
66 6BVJ EAS 9.58084
67 6BVI EC4 9.58084
68 1T0S BML 9.59596
69 4YSX E23 9.61539
70 4W4S B29 10
71 2CB8 MYA 10.3448
72 3MB3 MB3 10.3704
73 1DTL BEP 11.1801
74 1NF8 BOG 11.5942
75 3KPE TM3 11.7647
76 2Q4X HMH 12.2172
77 3NJQ NJQ 12.4352
78 5CX8 RP3 12.8788
79 2HFN FMN 13.0719
80 5LWY OLB 13.0841
81 1HBK MYR 13.4831
82 3DGY 2GP 16.4948
83 4UMJ BFQ 35.473
Pocket No.: 4; Query (leader) PDB : 3LDW; Ligand: ZOL; Similar sites found with APoc: 199
This union binding pocket(no: 4) in the query (biounit: 3ldw.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 2BYC FMN None
2 3NY4 SMX 1.13208
3 5IUY BOG 1.26263
4 1J78 OLA 1.51515
5 3CEV ARG 1.67224
6 3GFZ FMN 1.76768
7 3EE4 MYR 1.85759
8 1ZED PNP 1.8595
9 4O08 PO6 1.86916
10 6C1R EFD 2.0202
11 4OPC PGT 2.0202
12 1I0B PEL 2.10843
13 3OKI OKI 2.14592
14 1W55 GPP 2.15633
15 5M37 9SZ 2.17391
16 3WUC GLC GAL 2.18978
17 2ZBL BMA 2.27273
18 5OSW DIU 2.27273
19 4J6C STR 2.27273
20 1N20 3AG 2.27273
21 6BMS PLM 2.34604
22 2UW1 GVM 2.36686
23 3ITJ CIT 2.36686
24 2IYG FMN 2.41935
25 4WGF HX2 2.43902
26 4ZGM 32M 2.45902
27 1YRX FMN 2.47934
28 1XMY ROL 2.52525
29 2BHW NEX 2.58621
30 1OYJ GSH 2.5974
31 5K7H IVC 2.5974
32 5B0I BOG 2.62391
33 3G58 988 2.62467
34 2AEL SAZ 2.6738
35 1GNI OLA 2.77778
36 3SQP 3J8 2.77778
37 3V1V GST 2.77778
38 5LX9 OLB 2.9316
39 4RHP PEF 2.97872
40 3KMZ EQO 3.00752
41 6CB2 OLC 3.0303
42 5OLK DTP 3.0303
43 2O1V ADP 3.0303
44 5ZKC 3C0 3.0303
45 3B9Z CO2 3.09278
46 1ZQ5 E04 3.09598
47 1ZQ5 NAP 3.09598
48 5UC9 MYR 3.09735
49 4OIV XX9 3.09735
50 3TL1 JRO 3.14465
51 1TV5 N8E 3.28283
52 1M0W 3GC 3.28283
53 4BJZ P3A 3.28283
54 4BJZ FAD 3.28283
55 4ORM 2V6 3.28283
56 4ORM FMN 3.28283
57 4ORM ORO 3.28283
58 1ID0 ANP 3.28947
59 5DKK FMN 3.44828
60 4V1F BQ1 3.48837
61 4OAR 2S0 3.48837
62 4G86 BNT 3.52113
63 5L2R MLA 3.53535
64 2RH1 CLR 3.53535
65 5DZ2 212 3.5503
66 4MLN ODV 3.57143
67 2CFC KPC 3.6
68 4V3C C 3.60825
69 3W54 RNB 3.64742
70 3VRV YSD 3.69004
71 5NM7 GLY 3.7594
72 4IA6 EIC 3.78788
73 4LY9 1YY 3.78788
74 5X3R 7Y3 3.90244
75 4Q0A 4OA 3.97351
76 3TDC 0EU 4.0404
77 5OM2 DXT 4.06504
78 3ET3 ET1 4.10959
79 1R6N 434 4.2654
80 1Q7E MET 4.29293
81 3JUQ AJD 4.32432
82 2GWH PCI 4.36242
83 5TWO 7MV 4.41176
84 1RJW ETF 4.42478
85 4YUS FMN 4.45026
86 3FAL REA 4.54545
87 5Y02 HBX 4.6729
88 5Y02 MXN 4.6729
89 4V1T ADP 4.6875
90 3B6C SDN 4.70085
91 1DKF BMS 4.72103
92 5DJT FMN 4.82759
93 3SDV 911 5.05051
94 3DBX PLM 5.05051
95 4JIE BMA 5.05051
96 3G08 FEE 5.05051
97 5C9J DAO 5.05051
98 1XVB 3BR 5.05051
99 1JGS SAL 5.07246
100 2XN5 FUN 5.14286
101 5OCM 9RH 5.15464
102 2E2R 2OH 5.32787
103 5DXG EST 5.36398
104 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 5.43933
105 5XJ7 87O 5.47264
106 4MGA 27L 5.4902
107 4MG9 27K 5.4902
108 5EE7 5MV 5.53097
109 2BJ4 OHT 5.55556
110 5AAV GW5 5.55556
111 4TV1 36M 5.57769
112 6BJO DUY 5.6
113 2QCX PF1 5.70342
114 4RYV ZEA 5.80645
115 6CGN DA 5.80808
116 1K7L 544 5.90278
117 5XJD 87L 5.90909
118 3SP6 IL2 5.96491
119 2WOR 2AN 6
120 4DR9 BB2 6.06061
121 2OZ5 7XY 6.08108
122 1VJ7 GPX 6.10687
123 5UNJ RJW 6.12245
124 1RGE 2GP 6.25
125 2NPA MMB 6.2963
126 1MO9 FAD 6.31313
127 1MO9 KPC 6.31313
128 4RLT FSE 6.32911
129 5V3Y 5V8 6.64336
130 3L9R L9R 6.71378
131 3L9R L9Q 6.71378
132 1NHZ 486 6.78571
133 3RMK BML 6.86275
134 1X0P FAD 6.99301
135 2B56 U5P 7.07071
136 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 7.22022
137 3E70 GDP 7.31707
138 6A56 LAT 7.31707
139 5OCA 9QZ 7.56302
140 2HZL PYR 7.67123
141 6CIB ADP 7.69231
142 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 7.84314
143 3KP6 SAL 7.94702
144 2PRG BRL 7.95455
145 5EY0 GTP 8.0292
146 3EYK EYK 8.13953
147 1RTW MP5 8.63636
148 4OGQ SQD 8.75
149 4OGQ 7PH 8.75
150 4OGQ UMQ 8.75
151 4OGQ 1O2 8.75
152 4C1K PEP 8.77863
153 1NRL SRL 8.86076
154 5AZC PGT 9
155 4UCC ZKW 9.01288
156 5W7B MYR 9.21986
157 5NTP 98E 9.2437
158 4V3I ASP LEU THR ARG PRO 9.33852
159 6BVK EAV 9.58084
160 6BVM EBV 9.58084
161 6BVL EBY 9.58084
162 6BVJ EAS 9.58084
163 6BVI EC4 9.58084
164 4YSX E23 9.61539
165 1LNX URI 9.87654
166 4W4S B29 10
167 4UYG 73B 10.1911
168 5MTE BB2 10.219
169 2CB8 MYA 10.3448
170 1DTL BEP 11.1801
171 2Y69 CHD 11.25
172 1NF8 BOG 11.5942
173 1M2Z BOG 11.6732
174 3KPE TM3 11.7647
175 2Q4X HMH 12.2172
176 5CXI 5TW 12.3153
177 3NJQ NJQ 12.4352
178 4P3H 25G 12.4352
179 4OAS 2SW 12.5
180 2HFN FMN 13.0719
181 5LWY OLB 13.0841
182 1HBK MYR 13.4831
183 5WL1 CUY 13.6667
184 5WL1 D3D 13.6667
185 2BCG GER 13.8889
186 3O01 DXC 13.961
187 3IX9 MTX 14.7368
188 6BR8 6OU 15.0794
189 6BR8 PGV 15.0794
190 5ZCO CHD 15.2542
191 5W97 CHD 15.2542
192 5Z84 CHD 15.2542
193 5ZCO PGV 15.2542
194 5M36 9SZ 15.7895
195 3SE5 ANP 15.8537
196 3DGY 2GP 16.4948
197 4LWU 20U 20
198 5MWE TCE 30
199 3KRO PPV 37.9661
Pocket No.: 5; Query (leader) PDB : 3LDW; Ligand: ZOL; Similar sites found with APoc: 47
This union binding pocket(no: 5) in the query (biounit: 3ldw.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2HJ3 FAD None
2 4DE3 DN8 1.14068
3 4DDS 0J7 1.14068
4 4DE1 0J6 1.14068
5 4GNC ASO 1.67224
6 3HQ9 OXL 2.31884
7 4J26 EST 2.5
8 1XM4 PIL 2.52525
9 1XMU ROF 2.52525
10 6B9T 2HE 2.52525
11 1CZA ADP 2.52525
12 4PTN PYR 2.62391
13 1TMX HGX 3.07167
14 4URN NOV 3.11111
15 6GN6 MAL 3.28283
16 1ZPD CIT 3.28283
17 5E70 RCD 3.53535
18 2E9L PLM 3.53535
19 3MBG FAD 3.59712
20 6CS8 F9Y 3.63036
21 5CKS GAL 3.7037
22 4EKQ NPO 3.74332
23 5BRP PNG 3.78788
24 1B4N GUA 4.0404
25 5V4R MGT 4.32099
26 3JUQ AKD 4.32432
27 4MNS 2AX 4.40252
28 4LOC OXM 4.54545
29 6A5Y 9CR 4.62185
30 1DKF OLA 4.72103
31 2WBV SIA 4.7619
32 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 5.21739
33 4PTX BGC 5.55556
34 5OES 3GC 5.80808
35 6BR9 6OU 5.84958
36 5N26 CPT 6.04396
37 3HYW DCQ 6.06061
38 2GJ5 VD3 6.17284
39 5HCN DAO 7.27969
40 2QJY UQ2 7.32323
41 3X01 AMP 7.88804
42 6G47 SIA SIA 8.13397
43 5IJJ I6P 8.33333
44 1T0S BML 9.59596
45 5C1M OLC 11.2
46 2F2G HMH 12.2172
47 1NU4 MLA 14.433
Pocket No.: 6; Query (leader) PDB : 3LDW; Ligand: IPE; Similar sites found with APoc: 62
This union binding pocket(no: 6) in the query (biounit: 3ldw.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 5FPN KYD 1.51515
3 1ZED PNP 1.8595
4 2BP1 FLC 1.94444
5 3LL5 IP8 2.00803
6 1XQD DND 2.0202
7 1I0B PEL 2.10843
8 1W55 GPP 2.15633
9 5M37 9SZ 2.17391
10 1EI6 PPF 2.27273
11 3ITJ CIT 2.36686
12 2IYG FMN 2.41935
13 4J24 EST 2.5
14 2X8S AHR AHR AHR 2.52525
15 4I90 CHT 2.64026
16 3I7S PYR 2.73973
17 1GNI OLA 2.77778
18 4JF5 FLC 2.88066
19 4NTO 1PW 2.89855
20 3B9Z CO2 3.09278
21 5TVI O8N 3.26087
22 6GN6 MAL 3.28283
23 4MRP GSH 3.28283
24 5E70 RCD 3.53535
25 4EKQ NPO 3.74332
26 5NM7 GLY 3.7594
27 4F06 PHB 3.78788
28 3TDC 0EU 4.0404
29 5Z3I ADE 4.15094
30 1R6N 434 4.2654
31 4QO5 NAG 4.54545
32 3NB0 G6P 5.05051
33 1XVB 3BR 5.05051
34 4RW3 TDA 5.29801
35 5DX3 EST 5.36398
36 4MG9 27K 5.4902
37 5X80 SAL 5.625
38 6A0S NDP 5.72289
39 2GJ5 VD3 6.17284
40 3WUR O4B 6.43275
41 4K55 H6P 6.45161
42 1OFZ FUL 6.73077
43 2NZU BG6 6.81818
44 3RMK BML 6.86275
45 3LE7 ADE 6.89655
46 3KP6 SAL 7.94702
47 6G47 SIA SIA 8.13397
48 3EYK EYK 8.13953
49 1GJW GLC 8.33333
50 1QFT HSM 8.57143
51 5W7B MYR 9.21986
52 5NTP 98E 9.2437
53 4V3I ASP LEU THR ARG PRO 9.33852
54 1XZ3 ICF 9.77011
55 1LNX URI 9.87654
56 5CHR 4NC 10.9489
57 3QUZ QUV 11.6183
58 2BCG GER 13.8889
59 3O01 DXC 13.961
60 6BR8 6OU 15.0794
61 5MWE TCE 30
62 3KO0 TFP 38.6139
Pocket No.: 7; Query (leader) PDB : 3LDW; Ligand: IPE; Similar sites found with APoc: 13
This union binding pocket(no: 7) in the query (biounit: 3ldw.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5IUY BOG 1.26263
2 4QEK GLC 1.99336
3 1CY2 TMP 2.27273
4 6F6E PLM 2.8481
5 1TV5 N8E 3.28283
6 3F81 STT 4.37158
7 1RJW ETF 4.42478
8 4LOC OXM 4.54545
9 1DKF OLA 4.72103
10 5N26 CPT 6.04396
11 2C3Q GTX 6.07287
12 4WO4 JLS 6.12245
13 2F2G HMH 12.2172
Pocket No.: 8; Query (leader) PDB : 3LDW; Ligand: ZOL; Similar sites found with APoc: 45
This union binding pocket(no: 8) in the query (biounit: 3ldw.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5FPN KYD 1.51515
2 2BP1 FLC 1.94444
3 4O4Z N2O 1.94805
4 1XQD DND 2.0202
5 3W5N RAM 2.27273
6 4J24 EST 2.5
7 2VK2 GZL 2.61438
8 4I90 CHT 2.64026
9 3I7S PYR 2.73973
10 6DIO CIT 2.77778
11 3UPY FOM 3.0303
12 2GN2 C5P 3.21637
13 5TVI O8N 3.26087
14 4MRP GSH 3.28283
15 3BJC WAN 3.78788
16 5Z3I ADE 4.15094
17 5TCI 79V 4.29293
18 6D28 NEC 4.3956
19 6AYI C3G 4.52261
20 4QO5 NAG 4.54545
21 2D5X L35 4.79452
22 3G5N PB2 4.79798
23 5UC4 83S 5
24 3NB0 G6P 5.05051
25 3IHB GLU 5.05051
26 2XN3 ID8 5.24781
27 4RW3 TDA 5.29801
28 5DX3 EST 5.36398
29 3UUA 0CZ 5.57769
30 5X80 SAL 5.625
31 6A0S NDP 5.72289
32 6B21 C9V 5.80808
33 6BR9 PGV 5.84958
34 4WO4 JLS 6.12245
35 3WUR O4B 6.43275
36 4K55 H6P 6.45161
37 2NZU BG6 6.81818
38 2ALG DAO 7.6087
39 1GJW GLC 8.33333
40 3AI3 SOE 9.09091
41 4I67 G G G RPC 9.1954
42 1XZ3 ICF 9.77011
43 5CHR 4NC 10.9489
44 3QUZ QUV 11.6183
45 5X13 HC4 13.2979
APoc FAQ
Feedback