Receptor
PDB id Resolution Class Description Source Keywords
1P0Z 1.6 Å EC: 2.7.13.3 SENSOR KINASE CITA BINDING DOMAIN KLEBSIELLA PNEUMONIAE TRANSFERASE KINASE
Ref.: THE STRUCTURE OF THE PERIPLASMIC LIGAND-BINDING DOM THE SENSOR KINASE CITA REVEALS THE FIRST EXTRACELLU DOMAIN. J.BIOL.CHEM. V. 278 39189 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
10485_10486_10487_10488_10489_10490_10491_10492_10493_10494_10495_10496_10497_10498_10499_10500_10501_10502_10503_10504_10505_10506_10507_10508_10509_10510_10511_10512_10513_10514_10515_ A:1630;
Invalid;
none;
submit data n/a n/a n/a n/a
10534_10535_10536_10537_10538_10539_10540_10541_10542_10543_10544_10545_10546_10547_10548_10549_10550_10551_10552_10553_10554_10555_10556_10557_10558_10559_10560_10561_10562_10563_10564_ B:1634;
Invalid;
none;
submit data n/a n/a n/a n/a
10583_10584_10585_10586_10587_10588_10589_10590_10591_10592_10593_10594_10595_10596_10597_10598_10599_10600_10601_10602_10603_10604_10605_10606_10607_10608_10609_10610_10611_10612_10613_ C:1638;
Invalid;
none;
submit data n/a n/a n/a n/a
10632_10633_10634_10635_10636_10637_10638_10639_10640_10641_10642_10643_10644_10645_10646_10647_10648_10649_10650_10651_10652_10653_10654_10655_10656_10657_10658_10659_10660_10661_10662_ D:1642;
Invalid;
none;
submit data n/a n/a n/a n/a
10681_10682_10683_10684_10685_10686_10687_10688_10689_10690_10691_10692_10693_10694_10695_10696_10697_10698_10699_10700_10701_10702_10703_10704_10705_10706_10707_10708_10709_10710_10711_ E:1646;
Invalid;
none;
submit data n/a n/a n/a n/a
10730_10731_10732_10733_10734_10735_10736_10737_10738_10739_10740_10741_10742_10743_10744_10745_10746_10747_10748_10749_10750_10751_10752_10753_10754_10755_10756_10757_10758_10759_10760_ F:1650;
Invalid;
none;
submit data n/a n/a n/a n/a
10779_10780_10781_10782_10783_10784_10785_10786_10787_10788_10789_10790_10791_10792_10793_10794_10795_10796_10797_10798_10799_10800_10801_10802_10803_10804_10805_10806_10807_10808_10809_ G:1654;
Invalid;
none;
submit data n/a n/a n/a n/a
10828_10829_10830_10831_10832_10833_10834_10835_10836_10837_10838_10839_10840_10841_10842_10843_10844_10845_10846_10847_10848_10849_10850_10851_10852_10853_10854_10855_10856_10857_10858_ H:1658;
Invalid;
none;
submit data n/a n/a n/a n/a
10877_10878_10879_10880_10881_10882_10883_10884_10885_10886_10887_10888_10889_10890_10891_10892_10893_10894_10895_10896_10897_10898_10899_10900_10901_10902_10903_10904_10905_10906_10907_ I:1662;
Invalid;
none;
submit data n/a n/a n/a n/a
10926_10927_10928_10929_10930_10931_10932_10933_10934_10935_10936_10937_10938_10939_10940_10941_10942_10943_10944_10945_10946_10947_10948_10949_10950_10951_10952_10953_10954_10955_10956_ J:1666;
Invalid;
none;
submit data n/a n/a n/a n/a
FLC A:1632;
B:1636;
C:1640;
D:1644;
E:1648;
F:1652;
G:1656;
H:1660;
I:1664;
J:1668;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
NA A:1633;
B:1637;
C:1641;
D:1645;
E:1649;
F:1653;
G:1657;
H:1661;
I:1665;
J:1669;
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;
submit data
22.99 Na [Na+]
OMO A:1631;
B:1635;
C:1639;
D:1643;
E:1647;
F:1651;
G:1655;
H:1659;
I:1663;
J:1667;
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;
submit data
145.954 H2 Mo O3 O[Mo+...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P0Z 1.6 Å EC: 2.7.13.3 SENSOR KINASE CITA BINDING DOMAIN KLEBSIELLA PNEUMONIAE TRANSFERASE KINASE
Ref.: THE STRUCTURE OF THE PERIPLASMIC LIGAND-BINDING DOM THE SENSOR KINASE CITA REVEALS THE FIRST EXTRACELLU DOMAIN. J.BIOL.CHEM. V. 278 39189 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2J80 - FLC C6 H5 O7 C(C(=O)[O-....
2 1P0Z - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2J80 - FLC C6 H5 O7 C(C(=O)[O-....
2 1P0Z - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2J80 - FLC C6 H5 O7 C(C(=O)[O-....
2 1P0Z - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 69
This union binding pocket(no: 1) in the query (biounit: 1p0z.bio4) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5O4J 9KH 0.009655 0.44288 None
2 5O4J SAH 0.009655 0.44288 None
3 5CSD ACD 0.0179 0.43287 None
4 4WN5 MVC 0.01028 0.42723 None
5 1U0A BGC BGC BGC BGC 0.01053 0.41745 None
6 5A89 FMN 0.03992 0.4153 None
7 5A89 ADP 0.03992 0.4153 None
8 2D6M LBT 0.0005471 0.41181 None
9 5H9P TD2 0.008626 0.41071 None
10 3QRC SCR 0.002509 0.41045 None
11 1C1L GAL BGC 0.006492 0.40918 None
12 1JXZ BCA 0.03314 0.40616 None
13 5FBN 5WF 0.04676 0.40447 None
14 3MTX PGT 0.04673 0.40089 None
15 5BVE 4VG 0.04238 0.42538 2.29008
16 1ZB6 GST 0.03669 0.40687 3.05344
17 4RDN 6MD 0.004544 0.42311 3.59281
18 4J6W CTP 0.02951 0.41379 3.65854
19 2TPS TPS 0.005387 0.44612 3.81679
20 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.03497 0.43069 3.81679
21 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.03243 0.4113 3.81679
22 2WT2 GAL NAG GAL NAG GAL NAG 0.03147 0.40567 3.81679
23 3D91 REM 0.02075 0.44532 4.58015
24 4D42 W0I 0.03604 0.42562 4.58015
25 4D42 NAP 0.03604 0.42562 4.58015
26 1VBO MAN MAN MAN 0.009526 0.41136 4.58015
27 4WB6 ATP 0.02595 0.41059 4.58015
28 4XCB HY0 0.02588 0.4094 4.58015
29 1VBO MAN 0.01284 0.40375 4.58015
30 5B3A 0JO 0.03226 0.40155 4.58015
31 2BLE 5GP 0.04157 0.40073 4.58015
32 5W10 CMP 0.002495 0.45345 5.34351
33 3B1Q NOS 0.004286 0.44043 5.34351
34 4DV8 0LX 0.01661 0.43038 5.34351
35 4JJJ CE6 0.01442 0.42519 5.34351
36 5FM0 WAQ 0.01992 0.42463 5.34351
37 3PQB VGP 0.02478 0.40564 5.34351
38 4ZSI 4R1 0.002226 0.45274 6.10687
39 4XV1 904 0.03869 0.40778 6.87023
40 5JSD 1GN ACY GAL ACY 1GN BGC GAL BGC 0.01972 0.40482 6.87023
41 2FXD DR7 0.03969 0.40381 7.07071
42 5MPT SAH 0.00919 0.42636 7.63359
43 1NYW DAU 0.01036 0.42247 7.63359
44 4LIT AKG 0.005173 0.41891 7.63359
45 2VRQ XYP XYP AHR 0.01013 0.41785 7.63359
46 4RW3 DKA 0.03989 0.4023 7.63359
47 3T0X DIW 0.01298 0.41396 8.13008
48 4BVA T3 0.004204 0.46829 8.39695
49 3NWQ 2NC 0.01219 0.43219 9.09091
50 4ZU5 THM 0.002831 0.44824 9.16031
51 2FLI DX5 0.02678 0.40237 9.16031
52 1Y7P RIP 0.002863 0.42082 9.92366
53 5VC5 96M 0.03174 0.40774 9.92366
54 1G9J BGC SGC BGC SGC BGC SGC BGC SGC 0.02779 0.43861 10.687
55 3LVW GSH 0.02819 0.41978 10.687
56 3U7S 017 0.03402 0.4017 11.1111
57 4ZU4 4TG 0.02046 0.40312 11.4504
58 5GZ9 ANP 0.007824 0.43525 12.2137
59 5HES 032 0.01806 0.41201 12.2137
60 3OYW TDG 0.01042 0.40646 12.2137
61 5GLT BGC GAL NAG GAL 0.001083 0.41456 12.9771
62 1REQ DCA 0.04491 0.41302 13.7405
63 4Y24 TD2 0.01175 0.40915 15.5844
64 1W6S PQQ 0.02869 0.40031 16.0305
65 1Q6O LG6 0.009396 0.41889 18.3206
66 2P7Q GG6 0.009489 0.41122 19.8473
67 2GQS C2R 0.01681 0.40447 19.8473
68 5TZJ UD1 0.03956 0.40496 20.6107
69 3ZXE PGZ 0.005734 0.40599 24.4275
Pocket No.: 2; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 52
This union binding pocket(no: 2) in the query (biounit: 1p0z.bio6) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WYA HMG 0.01256 0.42641 None
2 2ZSC BTN 0.02355 0.40211 None
3 4QYN RTL 0.01755 0.41752 1.52672
4 1I8T FAD 0.04121 0.41428 2.29008
5 1RC0 KT5 0.03625 0.40814 2.29008
6 1ZB6 DIN 0.002598 0.47054 3.05344
7 2FCU AKG 0.005855 0.4198 3.05344
8 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.02904 0.41574 3.81679
9 5LJB RTL 0.02404 0.40633 3.81679
10 5URV NER 0.02063 0.40167 4.05405
11 3AGC RCC 0.005989 0.4465 4.58015
12 2IXC TRH 0.00896 0.43013 4.58015
13 1J3R 6PG 0.005096 0.4275 4.58015
14 2XIQ MLC 0.0144 0.4248 4.58015
15 4X7G 3Y8 0.0448 0.40602 4.58015
16 3LF0 ATP 0.02966 0.40068 5.26316
17 4WVW SLT 0.001371 0.44856 5.34351
18 3KA2 2NC 0.01697 0.44123 5.34351
19 3ACL 3F1 0.01876 0.40519 5.34351
20 5GM9 CBK 0.04269 0.4026 5.34351
21 1OTH PAO 0.0177 0.40851 6.10687
22 2FB3 GTP 0.03454 0.4069 6.10687
23 1QZR ANP 0.03489 0.40675 6.10687
24 1DQX BMP 0.02541 0.40631 6.10687
25 3NV3 GAL NAG MAN 0.002031 0.4001 6.10687
26 5J8O 6GZ 0.02374 0.40251 6.45161
27 4I42 1HA 0.02665 0.40834 6.87023
28 3VV1 GAL FUC 0.003057 0.40292 6.875
29 4GCZ ADP 0.01097 0.42162 7.63359
30 4XDA RIB 0.03253 0.41112 7.63359
31 4XDA ADP 0.03253 0.41112 7.63359
32 4DE9 VTP 0.04837 0.40326 7.63359
33 2Q2A ARG 0.01644 0.40335 8.39695
34 4RGQ 13P 0.02797 0.42039 9.16031
35 5X7Q ACR 0.00025 0.40239 9.16031
36 5JFL NAD 0.02192 0.41836 9.92366
37 4ZLU 4PW 0.04908 0.40433 9.92366
38 4ZLU ADP 0.04908 0.40433 9.92366
39 3FV1 DYH 0.03247 0.40449 10.687
40 1GSA ADP 0.0238 0.40445 10.687
41 3HRD FAD 0.01132 0.44889 12.2137
42 4MO2 FDA 0.02964 0.4221 12.9771
43 1PN0 IPH 0.04335 0.41707 12.9771
44 1KGI T4A 0.004213 0.44586 14.9606
45 3G08 FEE 0.02134 0.43889 15.2672
46 1LSH PLD 0.04314 0.40467 16.0305
47 4MP8 NAD 0.0315 0.41784 17.5573
48 3FHI ANP 0.02777 0.4069 18.3206
49 4P25 FUC GAL NAG FUC 0.007996 0.42608 19.084
50 5HA0 LTD 0.03478 0.40686 22.1374
51 5IXH OTP 0.0212 0.43187 24.4275
52 4H2V AMP 0.02957 0.40054 25.9542
Pocket No.: 3; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 4
This union binding pocket(no: 3) in the query (biounit: 1p0z.bio5) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QY1 PRZ 0.01524 0.41634 3.81679
2 3BWN PMP 0.01135 0.40943 3.81679
3 4DHY GLC 0.01143 0.43448 6.87023
4 3AHQ FAD 0.02498 0.40697 8.39695
Pocket No.: 4; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 1p0z.bio7) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UIN QI9 0.01967 0.40056 3.81679
2 4JH6 FCN 0.005523 0.40004 4.58015
Pocket No.: 5; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 5
This union binding pocket(no: 5) in the query (biounit: 1p0z.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VJY 460 0.00691 0.44761 3.05344
2 2JG1 TA6 0.01533 0.40198 6.10687
3 2Z77 HE7 0.04395 0.40024 6.10687
4 4CRL C1I 0.03282 0.41128 6.87023
5 3GGU 017 0.04113 0.40176 16.1616
Pocket No.: 6; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 27
This union binding pocket(no: 6) in the query (biounit: 1p0z.bio9) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5O4J PJL 0.01088 0.43781 None
2 2XMY CDK 0.03695 0.42948 None
3 4NS0 PIO 0.01424 0.40524 None
4 4HMT FMN 0.03139 0.40457 None
5 5M67 NAD 0.03911 0.42081 3.05344
6 2JDR L20 0.04987 0.41756 3.05344
7 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.04987 0.41756 3.05344
8 3BWN PMP PHE 0.02893 0.40059 3.81679
9 2XK9 XK9 0.01334 0.43416 4.58015
10 4MO4 ACP 0.01905 0.42986 4.58015
11 1RE8 BD2 0.02378 0.42903 4.58015
12 1LQA NDP 0.04249 0.4068 4.58015
13 5DN9 NAD 0.005807 0.45248 5.34351
14 5LIA 6XN 0.04508 0.42619 5.34351
15 1RF6 S3P 0.0293 0.40336 6.87023
16 1RF6 GPJ 0.0293 0.40336 6.87023
17 4N9I PCG 0.01619 0.43831 7.63359
18 5X40 ACP 0.03108 0.40052 7.63359
19 3EPO MP5 0.02557 0.40004 7.63359
20 4WNK 453 0.01376 0.42753 8.39695
21 3EYA FAD 0.04557 0.40613 8.39695
22 1Q3Q ANP 0.03905 0.40084 8.39695
23 5GJC ATP 0.01345 0.40388 13.7405
24 4KP7 NAP 0.03218 0.42486 19.084
25 3B1M KRC 0.02157 0.40722 19.8473
26 1Q9I TEO 0.03424 0.4289 21.374
27 4OOP DUP 0.02669 0.40398 25.9542
Pocket No.: 7; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1p0z.bio10) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 2
This union binding pocket(no: 8) in the query (biounit: 1p0z.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WL9 MBD 0.009778 0.40434 3.05344
2 4ZSI GLP 0.003646 0.44231 6.10687
Pocket No.: 9; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 2
This union binding pocket(no: 9) in the query (biounit: 1p0z.bio8) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BVM VCA 0.03072 0.40268 3.05344
2 4BVM PLM 0.02874 0.40268 3.05344
Pocket No.: 10; Query (leader) PDB : 1P0Z; Ligand: FLC; Similar sites found: 6
This union binding pocket(no: 10) in the query (biounit: 1p0z.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QJP V1F 0.03117 0.40337 1.52672
2 2ZE7 DST 0.02784 0.40733 4.58015
3 4JGT PYR 0.01004 0.40223 8.39695
4 5BYZ 4WE 0.02693 0.41317 9.16031
5 4U5I BXP 0.008235 0.41066 9.16031
6 2P53 NNG 0.0221 0.40502 10.687
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