Receptor
PDB id Resolution Class Description Source Keywords
1RL4 2.18 Å EC: 3.5.1.31 PLASMODIUM FALCIPARUM PEPTIDE DEFORMYLASE COMPLEX WITH INHIB PLASMODIUM FALCIPARUM CRYSTAL ENGINEERING DRUG DESIGN MALARIA PDF PEPTIDE DEFOPLASMODIUM HYDROLASE
Ref.: AN IMPROVED CRYSTAL FORM OF PLASMODIUM FALCIPARUM P DEFORMYLASE. PROTEIN SCI. V. 13 1155 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BL5 A:501;
B:1501;
Valid;
Valid;
none;
none;
ic50 = 130 nM
694.95 C38 H62 N8 O4 CCCC[...
BRR A:401;
B:1401;
Valid;
Valid;
none;
none;
submit data
189.209 C8 H15 N O4 CCCC[...
CO A:301;
B:1301;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.933 Co [Co+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RL4 2.18 Å EC: 3.5.1.31 PLASMODIUM FALCIPARUM PEPTIDE DEFORMYLASE COMPLEX WITH INHIB PLASMODIUM FALCIPARUM CRYSTAL ENGINEERING DRUG DESIGN MALARIA PDF PEPTIDE DEFOPLASMODIUM HYDROLASE
Ref.: AN IMPROVED CRYSTAL FORM OF PLASMODIUM FALCIPARUM P DEFORMYLASE. PROTEIN SCI. V. 13 1155 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1RL4 ic50 = 130 nM BL5 C38 H62 N8 O4 CCCC[C@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1RL4 ic50 = 130 nM BL5 C38 H62 N8 O4 CCCC[C@@H]....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1WS1 Ki = 0.28 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
2 1G2A ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
3 1BS8 - MET ALA SER n/a n/a
4 2AI8 ic50 = 0.16 uM SB7 C10 H15 N O2 c1ccc(cc1)....
5 1G27 ic50 = 7 nM BB1 C16 H31 N3 O4 CCCC[C@H](....
6 1LRU - BB2 C19 H35 N3 O5 CCCCC[C@H]....
7 1BS6 - MET ALA SER n/a n/a
8 2EW6 ic50 = 10.8 uM Y13 C17 H17 N O4 c1cc(ccc1C....
9 2EW5 ic50 = 1.25 uM Y12 C21 H21 N O5 CC(=O)Oc1c....
10 3UWB ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
11 1RL4 ic50 = 130 nM BL5 C38 H62 N8 O4 CCCC[C@@H]....
12 1S17 ic50 < 5 nM GNR C10 H10 N2 O3 S c1ccc2c(c1....
13 1IX1 - BB2 C19 H35 N3 O5 CCCCC[C@H]....
14 4DR9 ic50 = 10 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
15 3M6P Kd = 0.9 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
16 3M6R Kd = 32 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
17 3M6Q Kd = 48 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BL5; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BL5 1 1
Ligand no: 2; Ligand: BRR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BRR 1 1
2 BB1 0.481481 0.696429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RL4; Ligand: BRR; Similar sites found: 172
This union binding pocket(no: 1) in the query (biounit: 1rl4.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZVS MLI 0.001327 0.44757 None
2 1R6D DAU 0.03481 0.42582 None
3 1UY4 XYP XYP XYP XYP 0.01588 0.40039 None
4 1YP1 LYS ASN LEU 0.000007261 0.55711 1.06383
5 4WKI 3PW 0.0001714 0.50021 1.06383
6 1KAP GLY SER ASN SER 0.0004764 0.47822 1.59574
7 3NYQ MCA 0.02012 0.4223 1.59574
8 4POJ 2VP 0.01556 0.41773 1.59574
9 1O5I NAD 0.01322 0.4165 1.59574
10 4M8E 29V 0.01668 0.41461 1.59574
11 2AQX ATP 0.02121 0.40759 1.59574
12 2W14 WR2 0.0001082 0.51301 2.65957
13 1SB8 NAD 0.01533 0.44295 2.65957
14 1LVL FAD 0.03896 0.41705 2.65957
15 2V3B FAD 0.04545 0.40811 2.65957
16 4HDQ GNP 0.03426 0.40255 2.65957
17 3T12 GDP ALF 0.02926 0.40034 2.65957
18 5N7O 69Y 0.02103 0.40257 2.71493
19 2OL1 UMP 0.01591 0.40679 2.72109
20 3WV1 WHH 0.0001758 0.54427 2.92398
21 1ZVX FIN 0.0001306 0.5422 3.06748
22 3Q2H QHF 0.0002134 0.50581 3.19149
23 4DV8 0LX 0.0007143 0.50258 3.19149
24 4C2C ALA ALA ALA 0.0003104 0.42535 3.19149
25 1G0N PHH 0.03121 0.42076 3.19149
26 1G0N NDP 0.0313 0.41799 3.19149
27 4PKG ATP 0.01464 0.41423 3.19149
28 2Q1W NAD 0.03105 0.41321 3.19149
29 1BKJ FMN 0.02694 0.40809 3.19149
30 3SJH LAR 0.03203 0.40793 3.19149
31 3SJH ATP 0.0209 0.40793 3.19149
32 2PAV ATP 0.03525 0.40687 3.19149
33 4PKI ATP 0.02128 0.40586 3.19149
34 3MN5 ATP 0.02326 0.40552 3.19149
35 4B1X ATP 0.02393 0.40488 3.19149
36 4EFH ADP 0.01902 0.4048 3.19149
37 1SQK ADP 0.01749 0.40472 3.19149
38 2Z23 LYS LYS LYS 0.02964 0.40452 3.19149
39 1MDB AMP DBH 0.02362 0.40352 3.19149
40 4PL8 ATP 0.02615 0.40124 3.19149
41 2FF6 ATP 0.02197 0.40515 3.33333
42 2FF3 ATP 0.02234 0.40478 3.33333
43 3HGM ATP 0.008635 0.42775 3.40136
44 1MMQ RRS 0.00003465 0.54328 3.52941
45 1FBL HTA 0.0000222 0.54088 3.7234
46 4AR8 IP8 GLY PRO ALA 0.00002806 0.45827 3.7234
47 4BXK 1IU 0.01172 0.43935 3.7234
48 5KDS A2G THR ALA PRO GLY GLY NAG SIA 0.005268 0.431 3.7234
49 1HDO NAP 0.02297 0.42138 3.7234
50 2Q8M AMP 0.007818 0.41794 3.7234
51 1B7H LYS NLE LYS 0.02852 0.4152 3.7234
52 4HY1 19X 0.009268 0.41426 3.7234
53 3GKJ HC3 0.01772 0.40996 3.7234
54 1KZN CBN 0.01757 0.4084 3.7234
55 2IV3 UDP 0.02209 0.40503 3.7234
56 1F76 FMN 0.03475 0.40223 3.7234
57 3JUT GTQ 0.004765 0.43903 3.84615
58 1YAG ATP 0.03013 0.40272 4
59 1UAY ADN 0.00806 0.41955 4.13223
60 4KX8 L2O VAL VAL ASP 0.0001464 0.51644 4.25532
61 4AIG FLX 0.0002298 0.49095 4.25532
62 4ZW3 4S9 0.00152 0.48496 4.25532
63 3DBK RDF 0.003939 0.44151 4.25532
64 1ZMD FAD 0.02523 0.4276 4.25532
65 5L7G 6QE 0.01528 0.41659 4.25532
66 1P1C SAH 0.01778 0.41471 4.25532
67 4POO SAM 0.03267 0.40229 4.25532
68 1P4V GLY 0.008179 0.40107 4.25532
69 1HFS L04 0.00007293 0.55277 4.375
70 4WZV E40 0.00008113 0.53808 4.375
71 3HY9 098 0.0001468 0.51406 4.78723
72 5A0R ACE GLU VAL ASN PRO 0.01129 0.42941 4.78723
73 3LU1 NAD 0.01862 0.42176 4.78723
74 2PZM UDP 0.03636 0.41873 4.78723
75 2PZM NAD 0.03636 0.41873 4.78723
76 1N4W FAD 0.04707 0.41243 4.78723
77 4UP4 NDG 0.005828 0.41091 4.78723
78 4UP4 NAG 0.005828 0.41091 4.78723
79 1LYX PGA 0.0145 0.40676 4.78723
80 2A3Z ATP 0.02184 0.40528 4.78723
81 4XVX P33 FDA 0.04793 0.40393 4.78723
82 3TLJ SAH 0.02693 0.40377 4.78723
83 2A42 ATP 0.02441 0.40279 4.78723
84 3L9R L9R 0.04581 0.40398 5.10204
85 2CWH NDP 0.01727 0.42226 5.24781
86 2CWH PYC 0.02803 0.41561 5.24781
87 3ND6 ATP 0.03485 0.4094 5.26316
88 2ZXG S23 0.000509 0.49838 5.31915
89 3AHO 3A2 0.001579 0.47105 5.31915
90 2A8X FAD 0.01648 0.43788 5.31915
91 4M52 FAD 0.02096 0.43123 5.31915
92 1USF NAP 0.02478 0.41628 5.31915
93 1USF FMN 0.02118 0.41628 5.31915
94 1RM8 BAT 0.00001974 0.53608 5.32544
95 2R4J FAD 0.007456 0.46362 5.85106
96 2R4J 13P 0.007456 0.46362 5.85106
97 3DWB RDF 0.002076 0.44653 5.85106
98 1RJD SAM 0.009209 0.42631 5.85106
99 1RM6 PCD 0.02724 0.42316 5.85106
100 4P42 PEE 0.01351 0.42244 5.85106
101 5ECP ATP 0.03803 0.41423 5.85106
102 5ECP JAA 0.03662 0.41423 5.85106
103 5ECP MET 0.03662 0.41423 5.85106
104 1DB1 VDX 0.02947 0.41335 5.85106
105 4MOB COA 0.02449 0.40889 5.85106
106 4K90 MLA 0.01283 0.40616 5.85106
107 2IHK CSF 0.04413 0.40487 5.85106
108 2ZWA SAH 0.02784 0.40302 5.85106
109 3GPO APR 0.0214 0.41196 5.95238
110 1ATL 0QI 0.00009546 0.53034 6.38298
111 2J83 BAT 0.0001255 0.51985 6.38298
112 1UDB NAD 0.01662 0.44328 6.38298
113 4B2D FBP 0.004962 0.43231 6.38298
114 3EBL GA4 0.01734 0.41212 6.38298
115 1Y79 LYS TRP 0.009663 0.40844 6.38298
116 2O4J VD4 0.03324 0.40457 6.38298
117 2YVK MRU 0.02109 0.40251 6.38298
118 1KUK PCA LYS TRP 0.000306 0.48774 6.91489
119 1WDK NAD 0.03111 0.40198 6.91489
120 5D4V SAH 0.004681 0.44318 7.44681
121 1TE2 PGA 0.0005229 0.44296 7.44681
122 5U8U FAD 0.02401 0.44208 7.44681
123 4PVR ASP 0.0133 0.4127 7.44681
124 5T0B SIA GAL NAG 0.02285 0.40427 7.77778
125 1Q3A NGH 0.000002604 0.58281 7.87879
126 4C2G ALA ALA ALA ALA 0.003859 0.42797 8.07175
127 4B52 RDF 0.003978 0.43489 8.51064
128 1COY FAD 0.0247 0.4264 8.51064
129 1COY AND 0.04457 0.42231 8.51064
130 4C2V YJA 0.03829 0.40376 8.51064
131 4DPL NAP 0.04123 0.4032 8.51064
132 3DJF BC3 0.03066 0.40231 8.51064
133 2TCL RO4 0.00004441 0.54287 8.87574
134 5GIC DLC 0.03436 0.40629 9.04255
135 4IN9 SER TRP PHE PRO 0.00001229 0.5126 9.57447
136 2XQ0 BES 0.002859 0.43434 9.57447
137 2Q97 ATP 0.01933 0.41129 10.0775
138 4GAA BES 0.0001432 0.50962 10.1064
139 1MVN PCO 0.01755 0.42982 10.1064
140 4JNA FAD 0.03779 0.41697 10.6383
141 4WNK 453 0.0397 0.40292 10.6383
142 3RO7 TDR 0.0353 0.40444 11.3208
143 2ED4 FAD 0.01733 0.42091 11.4094
144 4QHP 32Q 0.01272 0.41907 11.7021
145 2VJ8 HA2 0.001602 0.48958 12.234
146 2ZSH GA3 0.01768 0.41169 12.7273
147 4CA5 3EF 0.01192 0.44985 12.766
148 2WMC MGP 0.01501 0.41198 12.9213
149 2FV5 541 0.0005354 0.50366 13.0268
150 1BKC INN 0.00009114 0.5138 13.2812
151 3T03 3T0 0.01409 0.40947 13.2979
152 3I6I NDP 0.04004 0.41208 13.8298
153 4DD8 BAT 0.00003735 0.52267 13.9423
154 1I2B NAD 0.04123 0.42297 14.3617
155 3D3X ARG ILE MET GLU NH2 0.01372 0.41902 14.3617
156 1AOE GW3 0.04102 0.4124 15.625
157 1R55 097 0.00005856 0.5168 19.1489
158 1WVG APR 0.01508 0.42138 19.1489
159 1QJI PKF 0.0214 0.40027 20.2128
160 3HBV ALA LYS ALA SER GLN ALA ALA 0.0003495 0.48488 25
161 4ARF IP8 GLY PRO ALA 0.0002316 0.49915 26.5957
162 2V52 ATP 0.0183 0.41092 28.125
163 2A40 ATP 0.02139 0.40575 28.125
164 1Q1Y BB2 0.000000001846 0.75078 31.9372
165 3E3U NVC 0.00000000001556 0.71196 42.5532
166 3G5K BB2 0.0000000007567 0.77443 43.1694
167 4JE7 BB2 0.000000004673 0.74232 44.1489
168 3G6N MET ALA SER 0.000001085 0.59708 45.2128
169 2OKL BB2 0.0000000003141 0.79782 47.027
170 3SVJ 4LI 0.000000002963 0.75935 48.9362
171 1LQY BB2 0.000000001109 0.6142 49.4565
172 5JF2 SF7 0.000000041 0.54541 49.4681
Pocket No.: 2; Query (leader) PDB : 1RL4; Ligand: BL5; Similar sites found: 174
This union binding pocket(no: 2) in the query (biounit: 1rl4.bio2) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GJ3 FAD 0.005941 0.45676 None
2 2QZT PLM 0.01075 0.431 None
3 4V3I ASP LEU THR ARG PRO 0.006886 0.42919 None
4 1OQC FAD 0.0265 0.41804 None
5 2FKW RG1 0.03771 0.40598 None
6 1T57 FMN 0.04144 0.40042 None
7 4DYG MES 0.01154 0.41493 1.06383
8 3NBK PNS 0.03478 0.41664 1.12994
9 1FBY REA 0.008449 0.44698 1.59574
10 4Q9M FPP 0.007047 0.41374 1.59574
11 1ZDT PEF 0.02546 0.40839 1.59574
12 4QJR PIZ 0.009655 0.40692 1.59574
13 4KVX ACO 0.003733 0.44732 1.92308
14 5AZC PGT 0.02377 0.45044 2.12766
15 2XSU PIE 0.02056 0.44162 2.12766
16 4MG9 27K 0.004453 0.43433 2.12766
17 1PZO CBT 0.0207 0.42565 2.12766
18 2FT0 ACO 0.01391 0.42235 2.12766
19 3OIG NAD 0.003021 0.41037 2.12766
20 1M13 HYF 0.01709 0.40305 2.12766
21 3KFC 61X 0.01436 0.40427 2.37154
22 4QWT ACD 0.0009889 0.49133 2.65957
23 3RDE OYP 0.0005706 0.46172 2.65957
24 2XXP DSL 0.02713 0.44606 2.65957
25 2QE4 JJ3 0.007119 0.44027 2.65957
26 4TV1 36M 0.0006902 0.43823 2.65957
27 2BJ4 OHT 0.00293 0.43124 2.65957
28 5HYR EST 0.006438 0.41857 2.65957
29 1U3D FAD 0.0197 0.41775 2.65957
30 3UUD EST 0.007885 0.41773 2.65957
31 2D3M COA 0.03945 0.41581 2.65957
32 2QZO KN1 0.01311 0.41449 2.65957
33 2QA8 GEN 0.008526 0.41039 2.65957
34 3A51 VDY 0.01807 0.40529 2.65957
35 1GP6 QUE 0.02437 0.40383 2.65957
36 1GP6 SIN 0.02322 0.40383 2.65957
37 1N8V BDD 0.01242 0.4203 2.67857
38 2OBD 2OB 0.02281 0.41026 2.94118
39 1ZVX FIN 0.02068 0.40541 3.06748
40 2CNT COA 0.008402 0.42105 3.125
41 1VPV PLM 0.02082 0.44262 3.19149
42 1MGP PLM 0.02286 0.4314 3.19149
43 3VVY ET 0.01245 0.41957 3.19149
44 1P1M MET 0.02818 0.41373 3.19149
45 2Q46 NAP 0.0007983 0.40869 3.19149
46 1HG4 LPP 0.03908 0.40077 3.19149
47 1N83 CLR 0.0004568 0.51449 3.7234
48 3KXC PLM 0.0003071 0.47342 3.7234
49 4OAR 2S0 0.002113 0.43702 3.7234
50 5AAV GW5 0.009087 0.42937 3.7234
51 5EYP GDP 0.04356 0.41888 3.7234
52 5T9E NAP 0.02626 0.41015 3.7234
53 1FBL HTA 0.01648 0.40714 3.7234
54 1LBT T80 0.03266 0.40595 3.7234
55 5ITZ GDP 0.04144 0.41226 3.87597
56 3CIP ATP 0.002278 0.41301 3.90625
57 1GNI OLA 0.001975 0.52333 4.25532
58 5D59 78M 0.001976 0.48877 4.25532
59 5L7G 6QE 0.002021 0.45578 4.25532
60 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.0003343 0.4433 4.25532
61 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.001606 0.43742 4.25532
62 1ZDU P3A 0.02903 0.4285 4.25532
63 2A3I C0R 0.005588 0.41367 4.25532
64 3GN8 DEX 0.006914 0.41179 4.25532
65 1ZMD FAD 0.02614 0.40925 4.25532
66 2OFW ADX 0.02527 0.40348 4.25532
67 1YUC EPH 0.01201 0.40218 4.25532
68 2C78 PUL 0.04751 0.40217 4.25532
69 1HFS L04 0.01506 0.42316 4.375
70 1UVC STE 0.01574 0.40405 4.3956
71 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.004703 0.41974 4.60526
72 5ML3 DL3 0.01373 0.4249 4.69799
73 4I4B 1CV 0.002475 0.473 4.78723
74 1GR0 NAD 0.01415 0.41414 4.78723
75 3L9R L9R 0.03592 0.40643 5.10204
76 1LN1 DLP 0.007343 0.4821 5.31915
77 3RUG DB6 0.005948 0.43923 5.31915
78 5C1M OLC 0.007262 0.42939 5.31915
79 4ZOM 4Q3 0.01316 0.4279 5.31915
80 3G08 FEE 0.002218 0.42496 5.31915
81 3C8Z 5CA 0.01783 0.42388 5.31915
82 2J8C U10 0.03391 0.40949 5.31915
83 2J8C SPO 0.03391 0.40949 5.31915
84 5M8T 0TR 0.01444 0.40556 5.31915
85 3SCM LGN 0.0191 0.40347 5.31915
86 3WQM B29 0.01024 0.40315 5.31915
87 3QCJ NX4 0.0002898 0.47716 5.85106
88 5CX6 CDP 0.00003375 0.46723 5.85106
89 2Y8L ADP 0.007265 0.46594 5.85106
90 3F8D FAD 0.03631 0.43511 5.85106
91 3OJF NDP 0.001618 0.43164 5.85106
92 3R9V DXC 0.002411 0.42876 5.85106
93 4MOB COA 0.02518 0.42135 5.85106
94 4LNU GDP 0.03625 0.41728 5.85106
95 3QT6 2P0 0.04501 0.41086 5.85106
96 3AY6 BGC 0.001498 0.40924 5.85106
97 2A92 NAI 0.02711 0.40895 5.85106
98 3HZS M0E 0.0284 0.40806 5.85106
99 5ECP ATP 0.005142 0.40744 5.85106
100 3AY6 NAI 0.0009459 0.405 5.85106
101 5ECP JAA 0.006232 0.40215 5.85106
102 5ECP MET 0.006232 0.40215 5.85106
103 5C9J STE 0.00576 0.44985 6.06061
104 5U98 1KX 0.02259 0.42776 6.06061
105 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.02828 0.42091 6.06061
106 3TL1 JRO 0.006431 0.42758 6.28931
107 1IYK MYA 0.005124 0.45401 6.38298
108 5JCM ISD 0.04452 0.42434 6.38298
109 5JCM FAD 0.043 0.42434 6.38298
110 5JCM NAD 0.043 0.42434 6.38298
111 4PJT 2YQ 0.0312 0.41569 6.38298
112 2VC7 HT5 0.04058 0.41238 6.38298
113 4LA7 A1O 0.02582 0.42894 6.91489
114 2UW1 GVM 0.004824 0.42239 6.91489
115 4M4Q 21A 0.017 0.41977 6.91489
116 3A1S GDP 0.001669 0.41874 6.91489
117 4P6W MOF 0.009203 0.41072 6.91489
118 1YMT DR9 0.007937 0.40965 6.91489
119 1YP0 PEF 0.009681 0.40927 6.91489
120 3HW5 AMP 0.01019 0.40472 6.91489
121 5JNN 6LM 0.03464 0.40402 6.91489
122 2LBD REA 0.007414 0.42578 7.44681
123 2GMH UQ5 0.006002 0.40454 7.44681
124 3T6E UQ9 0.01588 0.40176 7.44681
125 3RYC GDP 0.04516 0.40957 7.69231
126 5L2J 6UL 0.01635 0.45678 7.97872
127 5L2J 70E 0.01766 0.4563 7.97872
128 2X24 X24 0.01417 0.4172 7.97872
129 2WG9 OCA 0.02379 0.40135 8.46154
130 4KQI RBZ 0.01787 0.42765 8.51064
131 5MEX SZZ 0.04622 0.4171 8.51064
132 2RGO FAD 0.01638 0.40368 8.51064
133 2TCL RO4 0.01939 0.40196 8.87574
134 5JO1 6LM 0.02779 0.40575 9.18919
135 2WPF WPF 0.009015 0.4332 9.57447
136 4DS8 A8S 0.01997 0.41995 9.57447
137 5MW4 5JU 0.02461 0.40523 9.57447
138 4LSJ LSJ 0.004509 0.43558 10.1064
139 3BQD DAY 0.005414 0.43297 10.1064
140 4P6X HCY 0.007354 0.42209 10.1064
141 2ALG DAO 0.01209 0.40301 10.8696
142 2ALG HP6 0.01209 0.40301 10.8696
143 2D5Z L35 0.01221 0.43101 10.9589
144 2O5L MNR 0.02904 0.40023 11.1111
145 2Q6B HR2 0.02269 0.41265 11.1702
146 2CB8 MYA 0.004972 0.42663 11.4943
147 4DM8 REA 0.01998 0.42584 11.985
148 3ODU ITD 0.011 0.4331 12.234
149 1Z83 AP5 0.002779 0.40747 12.234
150 3DST GRG 0.03555 0.40309 12.234
151 2WTX VDO 0.005335 0.42536 12.766
152 2WTX UDP 0.03064 0.40852 12.766
153 1XAJ NAD 0.02122 0.40809 12.766
154 1XAJ CRB 0.03643 0.40437 12.766
155 3H0A D30 0.003308 0.45237 13.2979
156 1FM9 570 0.00771 0.44502 13.2979
157 3FUR Z12 0.01217 0.42794 13.2979
158 2PRG BRL 0.007097 0.41387 13.2979
159 3G9E RO7 0.01505 0.40858 13.2979
160 3I51 6PL 0.006855 0.44246 13.8298
161 4U03 TLL 0.04376 0.42139 13.8298
162 3B1M KRC 0.003445 0.44792 14.8936
163 2HFP NSI 0.00599 0.42185 14.8936
164 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.001366 0.40788 14.8936
165 3GYT DL4 0.00392 0.44471 16.3934
166 2AX9 BHM 0.003753 0.42663 16.4894
167 3V49 PK0 0.0114 0.40164 16.4894
168 2IBZ UQ6 0.02256 0.41694 18.1818
169 3CXH SMA 0.009001 0.41331 18.4615
170 5ITV NAI 0.002101 0.43007 18.617
171 1WWZ ACO 0.01119 0.41161 18.617
172 1WVG CXY 0.03728 0.41245 19.1489
173 1EZV SMA 0.01099 0.4009 21.8182
174 3NMV PYV 0.02348 0.40886 22.8723
Pocket No.: 3; Query (leader) PDB : 1RL4; Ligand: BRR; Similar sites found: 56
This union binding pocket(no: 3) in the query (biounit: 1rl4.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZFZ ARG 0.03657 0.44157 None
2 2YAK OSV 0.03165 0.40421 None
3 4WG0 CHD 0.01429 0.402 None
4 5G3N X28 0.02193 0.40264 1.5748
5 3HVJ 705 0.03583 0.40795 2.12766
6 1SB8 UD2 0.01744 0.4385 2.65957
7 2XBL M7P 0.01367 0.40563 2.65957
8 2HQU DUP 0.01223 0.4137 3.04878
9 4NW6 2NS 0.02383 0.41304 3.19149
10 4PYW ACE THR THR ALA ILE NH2 0.02299 0.4047 3.19149
11 5T9F TYR 0.03003 0.41402 3.7234
12 3CTY FAD 0.04874 0.40863 3.7234
13 5T9E NAP 0.03399 0.4001 3.7234
14 5EZ7 FAD 0.03689 0.41105 4.25532
15 3BIY 01K 0.01899 0.40893 4.25532
16 4XMF HSM 0.007617 0.44215 4.34783
17 1UVC STE 0.03429 0.40117 4.3956
18 3BJK CIT 0.009445 0.43525 4.57516
19 1UWK URO 0.03128 0.42001 4.78723
20 1UWK NAD 0.03128 0.42001 4.78723
21 3LXK MI1 0.02191 0.40998 4.78723
22 2IV2 MGD 0.03546 0.40918 4.78723
23 4EYG VNL 0.007958 0.41276 4.8913
24 2PID YSA 0.02037 0.41161 5.31915
25 3WDM ADN 0.03815 0.40338 5.31915
26 4CQM NAP 0.03339 0.40419 5.85106
27 2YAB AMP 0.01941 0.4019 5.85106
28 2V3V MGD 0.03161 0.43448 6.38298
29 5BVE 4VG 0.03962 0.42203 6.38298
30 4U7W NDP 0.02747 0.40619 6.38298
31 1OFD AKG 0.02517 0.41402 6.91489
32 2PTR 2SA 0.02263 0.40926 6.91489
33 5L44 K26 0.004051 0.43154 7.44681
34 3ZJX BOG 0.007703 0.41568 7.44681
35 1G8K MGD 0.03135 0.41301 7.44681
36 5UIU 8CG 0.0328 0.4034 7.44681
37 1V5Y FMN 0.01057 0.42485 7.97872
38 2RGH FAD 0.03302 0.41455 7.97872
39 2BLF MSS 0.01658 0.40707 7.97872
40 4CZG ADP 0.03059 0.4106 9.04255
41 3VC1 GST 0.04854 0.40459 9.04255
42 3VC1 SAH 0.0231 0.40459 9.04255
43 3LAD FAD 0.01967 0.42849 9.57447
44 4WB6 ATP 0.02047 0.41015 10
45 3NEM AMO 0.01401 0.4186 10.1064
46 2B9W FAD 0.02789 0.42928 10.6383
47 3G9E RO7 0.02443 0.41471 13.2979
48 1FM9 570 0.02193 0.41375 13.2979
49 2PRG BRL 0.01531 0.40518 13.2979
50 4YWV SSN 0.03731 0.40279 13.8298
51 5O4J PJL 0.007663 0.44119 14.8936
52 5O4J 9KH 0.008577 0.43977 14.8936
53 5O4J SAH 0.008577 0.43977 14.8936
54 3B1M KRC 0.01267 0.41464 14.8936
55 1SIV PSI 0.03734 0.40387 15.1515
56 2JLD AG1 0.0441 0.40004 22.8723
Pocket No.: 4; Query (leader) PDB : 1RL4; Ligand: BL5; Similar sites found: 74
This union binding pocket(no: 4) in the query (biounit: 1rl4.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YAK OSV 0.03323 0.43658 None
2 1UKZ ADP 0.02586 0.41172 None
3 1UKZ AMP 0.01492 0.41172 None
4 3RET PYR 0.01542 0.40971 None
5 2RIF AMP 0.009242 0.40685 None
6 5THQ NDP 0.01225 0.40712 1.59574
7 4MKG AP5 0.03841 0.40362 1.59574
8 2I0G I0G 0.009821 0.44397 2.12766
9 4J24 EST 0.01464 0.41216 2.12766
10 2CDN ADP 0.01376 0.40283 2.12766
11 5DXG EST 0.0107 0.42415 2.65957
12 3T58 FAD 0.03561 0.40435 2.65957
13 5DX3 EST 0.01599 0.40189 2.65957
14 3Q2H QHF 0.007627 0.4387 3.19149
15 1GAW FAD 0.009562 0.43666 3.19149
16 4GFD 0YB 0.01607 0.41053 3.19149
17 1E5Q SHR 0.03614 0.40173 3.19149
18 2WPW ACO 0.02071 0.40164 3.19149
19 5EYP LOC 0.005265 0.43621 3.7234
20 1GUZ NAD 0.02864 0.42145 3.7234
21 1YDK GTX 0.02611 0.40823 3.7234
22 4IBF 1D5 0.02211 0.41896 3.87597
23 3OGN 3OG 0.01052 0.41199 4.03226
24 1YOK P6L 0.004683 0.4697 4.25532
25 1ODJ GMP 0.003161 0.46089 4.25532
26 1GS5 NLG 0.00878 0.4528 4.25532
27 3MHP FAD 0.01294 0.42949 4.25532
28 2PUL ACP 0.01162 0.42126 4.25532
29 4BJZ P3A 0.04731 0.41318 4.25532
30 4WZV E40 0.01915 0.40764 4.375
31 3RJ5 NAD 0.006651 0.4254 4.78723
32 3VO1 FAD 0.01498 0.41432 4.78723
33 3GL0 HXX 0.0334 0.40852 4.78723
34 1PZG A3D 0.03622 0.40547 4.78723
35 3KPB SAM 0.01393 0.41439 4.91803
36 1NP7 FAD 0.01537 0.43402 5.31915
37 3UP3 XCA 0.02586 0.42427 5.31915
38 3WDM ADN 0.0312 0.41469 5.31915
39 4G1V FAD 0.02994 0.40017 5.31915
40 2Y8L AMP 0.01341 0.45225 5.85106
41 2V92 ATP 0.01179 0.43869 5.85106
42 2V92 AMP 0.006839 0.42703 5.85106
43 2C31 ADP 0.03572 0.4121 5.85106
44 2C31 TZD 0.03634 0.4121 5.85106
45 5T67 JHZ 0.04639 0.41086 5.85106
46 5T67 SAH 0.04584 0.40886 5.85106
47 4COL DTP 0.01063 0.40404 5.85106
48 1AE1 NAP 0.01687 0.40041 5.85106
49 4QGE 35O 0.01689 0.43793 6.38298
50 1O5R FR9 0.01149 0.43467 6.91489
51 1WDK NAD 0.02661 0.43283 6.91489
52 1YC5 NCA 0.04454 0.40568 7.44681
53 1GY8 NAD 0.01645 0.40206 7.44681
54 3ICC NAP 0.02582 0.4 8.51064
55 1WPV HIS 0.01033 0.43487 9.52381
56 2E2R 2OH 0.007916 0.44577 9.57447
57 2WPF FAD 0.03231 0.41486 9.57447
58 2Q1H AS4 0.01028 0.41303 9.57447
59 1EWY FAD 0.01677 0.41579 10.1064
60 1NHZ 486 0.01426 0.4093 10.1064
61 1M2Z DEX 0.01925 0.40356 10.1064
62 4J7Q B7N 0.01909 0.40706 10.6383
63 3WCA FPS 0.01619 0.42672 11.1702
64 3FJO FAD 0.009523 0.40141 11.1702
65 1V35 NAI 0.002163 0.45606 12.234
66 3H0A 9RA 0.02655 0.40482 13.2979
67 1BOB ACO 0.007194 0.4247 13.8298
68 1NJJ ORX 0.0145 0.41962 13.8298
69 4PSW COA 0.006366 0.41623 15.4255
70 1DDG FAD 0.03692 0.40107 16.4894
71 2IBZ SMA 0.02263 0.40053 18.1818
72 3JQQ FAD 0.03103 0.40137 23.9362
73 5NJI 8Z2 0.0156 0.40095 27.1277
74 4J26 EST 0.01169 0.41689 33.3333
Feedback