Receptor
PDB id Resolution Class Description Source Keywords
2W24 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE M. TUBERCULOSIS RV3291C COMPLEXED TO LYSINE MYCOBACTERIUM TUBERCULOSIS RV3291C DNA-BINDING TRANSCRIPTION LYSINE COMPLEX TRANSCRIPTION REGULATOR TRANSCRIPTION REGULATION
Ref.: LIGAND-INDUCED STRUCTURAL TRANSITIONS, MUTATIONAL ANALYSIS, AND 'OPEN' QUATERNARY STRUCTURE OF THE M. TUBERCULOSIS FEAST/FAMINE REGULATORY PROTEIN (RV3291C). J.MOL.BIOL. V. 392 1007 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS A:1151;
Valid;
none;
submit data
147.195 C6 H15 N2 O2 C(CC[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2W24 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE M. TUBERCULOSIS RV3291C COMPLEXED TO LYSINE MYCOBACTERIUM TUBERCULOSIS RV3291C DNA-BINDING TRANSCRIPTION LYSINE COMPLEX TRANSCRIPTION REGULATOR TRANSCRIPTION REGULATION
Ref.: LIGAND-INDUCED STRUCTURAL TRANSITIONS, MUTATIONAL ANALYSIS, AND 'OPEN' QUATERNARY STRUCTURE OF THE M. TUBERCULOSIS FEAST/FAMINE REGULATORY PROTEIN (RV3291C). J.MOL.BIOL. V. 392 1007 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 2W24 - LYS C6 H15 N2 O2 C(CC[NH3+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 2W24 - LYS C6 H15 N2 O2 C(CC[NH3+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 2W24 - LYS C6 H15 N2 O2 C(CC[NH3+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LYS; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS 1 1
2 LYN 0.612903 0.741935
3 DLY 0.59375 0.962963
4 API 0.586207 0.733333
5 DHH 0.575758 0.709677
6 NPI 0.558824 0.709677
7 ORN 0.53125 0.925926
8 M3L 0.527778 0.604651
9 NLE 0.515152 0.677419
10 6HN 0.513514 0.604651
11 MLY 0.513514 0.641026
12 MLZ 0.513514 0.764706
13 ALY 0.512821 0.742857
14 11C 0.5 0.677419
15 6CL 0.5 0.766667
16 UN1 0.5 0.677419
17 HRG 0.475 0.764706
18 ONH 0.472222 0.694444
19 EXY 0.463415 0.621622
20 NOT 0.463415 0.764706
21 26P 0.459459 0.617647
22 HSE 0.451613 0.6875
23 DAB 0.451613 0.827586
24 CIR 0.447368 0.694444
25 HCS 0.4375 0.758621
26 NVA 0.4375 0.666667
27 2NP 0.435897 0.611111
28 ARG 0.435897 0.764706
29 DAR 0.435897 0.764706
30 REZ 0.422222 0.621622
31 5CT 0.413043 0.742857
32 DGL 0.411765 0.645161
33 GGL 0.411765 0.645161
34 DGN 0.411765 0.636364
35 GLN 0.411765 0.636364
36 GLU 0.411765 0.645161
37 ILO 0.404762 0.714286
38 SHR 0.404255 0.8125
39 0TF 0.404255 0.722222
40 2RA 0.4 0.733333
41 ABA 0.4 0.62069
42 DSN 0.4 0.645161
43 SER 0.4 0.645161
44 DBB 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2W24; Ligand: LYS; Similar sites found: 155
This union binding pocket(no: 1) in the query (biounit: 2w24.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PNO U5P 0.00003562 0.49259 None
2 3S9K CIT 0.002698 0.49049 None
3 1FX8 BOG 0.00003877 0.47913 None
4 3FPZ AHZ 0.00007845 0.47035 None
5 4F8L GAL 0.008201 0.46697 None
6 2E1A MSE 0.0005871 0.46161 None
7 3F81 STT 0.005879 0.45709 None
8 3VOZ 04A 0.0002086 0.45246 None
9 1XX4 BAM 0.001678 0.45189 None
10 3KPE TM3 0.003359 0.44763 None
11 2HMT NAI 0.00008574 0.44692 None
12 1BTN I3P 0.03751 0.43185 None
13 4OYA 1VE 0.001955 0.43154 None
14 1ME8 RVP 0.001389 0.42809 None
15 1WGC SIA GAL BGC 0.02952 0.4273 None
16 1DXY NAD 0.004036 0.41765 None
17 1I9G SAM 0.0008092 0.41441 None
18 2OFE NAG 0.02048 0.41105 None
19 2P4T NAP 0.0004019 0.40672 None
20 1GXU 2HP 0.001672 0.40438 None
21 3K37 BCZ 0.000276 0.45054 1.33333
22 3RO7 TDR 0.0002329 0.46222 2
23 4FR3 LYS ARG ARG LYS SEP VAL 0.0001112 0.46021 2
24 4FR3 0V4 0.0001711 0.45398 2
25 1I2B USQ 0.001418 0.44446 2
26 1I2B NAD 0.001418 0.44446 2
27 1I2B UPG 0.001418 0.44446 2
28 2FWP CIT 0.00002134 0.44373 2
29 4FUA PGH 0.000151 0.42295 2
30 1J2Z SOG 0.001773 0.42061 2
31 4B7J G39 0.0001937 0.4189 2
32 2FWP ICR 0.0002759 0.41714 2
33 2XD9 XD9 0.01392 0.41202 2
34 4A8T PAO 0.003291 0.40659 2
35 1F8F NAD 0.00001905 0.47387 2.66667
36 1RP0 AHZ 0.001431 0.42261 2.66667
37 1EDO NAP 0.005034 0.40446 2.66667
38 1JA9 NDP 0.0003616 0.44245 3.33333
39 1T26 GBD 0.001185 0.43712 3.33333
40 1T26 NAI 0.001185 0.43712 3.33333
41 1Y0L HAN 0.02905 0.42769 3.33333
42 2Q8H TF4 0.03116 0.41918 3.33333
43 1W55 C 0.0008169 0.41622 3.33333
44 5D6C 57S 0.04136 0.41585 3.33333
45 4LTN NAI 0.0008485 0.4157 3.33333
46 4LTN FMN 0.000632 0.4157 3.33333
47 2RHW C0E 0.003046 0.40769 3.33333
48 1DRV A3D 0.001543 0.40755 3.33333
49 1GSA ADP 0.002061 0.40361 3.33333
50 2QIA U20 0.002911 0.40269 3.33333
51 1SSQ CYS 0.002072 0.40216 3.33333
52 3MB5 SAM 0.002761 0.40135 3.33333
53 3FS8 TDR 0.007083 0.4013 3.33333
54 3GD8 GOL 0.00001108 0.43483 4
55 2QS8 MET 0.00006025 0.42153 4
56 2JBH 5GP 0.01311 0.40553 4
57 3DJL FAD 0.007468 0.40332 4
58 4C25 13P 0.0004214 0.40308 4
59 3O03 NAP 0.003888 0.40136 4
60 3LTW HLZ 0.03505 0.40008 4
61 1JOT GAL A2G 0.00000009624 0.42122 4.51128
62 2ZWS PLM 0.00865 0.46565 4.66667
63 1EXB NDP 0.001089 0.42789 4.66667
64 4IVG ANP 0.0005485 0.42354 4.66667
65 1O9U ADZ 0.02666 0.42275 4.66667
66 1OFH ADP 0.001005 0.42112 4.66667
67 2BLE 5GP 0.001084 0.42084 4.66667
68 4N02 FNR 0.001175 0.41483 4.66667
69 1MVN PCO 0.001502 0.4143 4.66667
70 2RDT FMN 0.001608 0.41215 4.66667
71 2RDT 2RD 0.002699 0.41215 4.66667
72 3QVL 5HY 0.00141 0.41145 4.66667
73 4NVP 7CH 0.0004862 0.40983 4.66667
74 3FSY SCA 0.0009521 0.403 4.66667
75 1MVQ MMA 0.0002091 0.40221 4.66667
76 4WVH ASP HIS ASP ALA HIS ALA 0.01678 0.40099 4.66667
77 1SAY PYR 0.0005875 0.45695 5.33333
78 1WVC CTP 0.0006509 0.44167 5.33333
79 3PHQ KDO 0.04163 0.43049 5.33333
80 2Z5Y HRM 0.00004835 0.43003 5.33333
81 2YYJ FAD 0.002068 0.42339 5.33333
82 2YYJ 4HP 0.002068 0.42339 5.33333
83 4KCF AKM 0.0009307 0.41628 5.33333
84 3SHR CMP 0.005961 0.41534 5.33333
85 1OMZ UD2 0.001255 0.40651 5.33333
86 1KW6 BPY 0.003489 0.40577 5.33333
87 1G8S MET 0.02804 0.40465 5.33333
88 2NLI LAC 0.002522 0.40259 5.33333
89 2NLI FMN 0.002522 0.40259 5.33333
90 3GTD MLI 0.02698 0.40069 5.33333
91 1JQ5 NAD 0.001613 0.44404 6
92 5A2J ALA PRO ASP THR ARG PRO 0.02854 0.41801 6
93 3ZPG 5GP 0.04933 0.4086 6
94 1G6O ADP 0.002167 0.40799 6
95 4G1V FAD 0.009072 0.40683 6
96 1A5Z OXM 0.0001175 0.53435 6.66667
97 1GR0 NAD 0.00006364 0.47055 6.66667
98 4TSK NDP 0.0001066 0.45175 6.66667
99 1A5Z FBP 0.0002849 0.43822 6.66667
100 1FNZ A2G 0.0001834 0.43603 6.66667
101 1NVU GTP 0.0003189 0.43466 6.66667
102 1P4C FMN 0.00106 0.42556 6.66667
103 2OWZ CIT 0.00005125 0.40807 6.66667
104 2BGM NAJ 0.001055 0.41964 6.83453
105 43CA NPO 0.01124 0.45916 7.07965
106 1ZK4 NAP 0.00004099 0.47989 7.33333
107 1ZK4 AC0 0.00004099 0.47989 7.33333
108 3CKZ ZMR 0.00002492 0.45651 7.33333
109 3K9W ADE 0.0004095 0.4537 7.33333
110 3K9W 4PS 0.0004095 0.4537 7.33333
111 3MMR ABH 0.001204 0.41617 7.33333
112 1ZFJ IMP 0.0137 0.40101 7.33333
113 1LO8 4CA 0.004243 0.40299 7.80142
114 1YBH FAD 0.0002091 0.45975 8
115 3V91 UPG 0.000409 0.42564 8
116 2X61 NGA GAL SIA 0.0009521 0.42108 8
117 4KQL 1SG 0.001601 0.41682 8
118 4P87 4NP 0.0001153 0.41246 8
119 1ZZ7 S0H 0.01558 0.40676 8
120 4AF0 IMP 0.001847 0.4051 8
121 2X61 CH 0.0007618 0.40143 8
122 1LTH NAD 0.0002703 0.43515 8.66667
123 3EJ0 11X 0.00009978 0.41156 8.66667
124 5DS8 GLY 5CT GLY ALA 0.03942 0.40788 8.66667
125 1XMV ADP 0.002393 0.40416 8.66667
126 3OIG NAD 0.0005526 0.43033 9.33333
127 4DA6 GA2 0.0006829 0.42407 9.33333
128 3C2O NTM 0.001221 0.43563 10
129 4MOB COA 0.0001895 0.42592 10
130 3FSJ D7K 0.001846 0.41894 10
131 1TV5 ORO 0.005831 0.40146 10
132 1NVV GNP 0.0007578 0.42262 10.241
133 3NOJ PYR 0.003119 0.44001 10.5042
134 1RM4 NDP 0.001989 0.41228 10.6667
135 2IMP NAI 0.0005003 0.44311 11.3333
136 1V5F FAD 0.002282 0.44293 11.3333
137 1V5F TPP 0.002282 0.44293 11.3333
138 4B9E FAH 0.01979 0.41713 11.3333
139 1A8S PPI 0.0082 0.40754 11.3333
140 2ZJ5 ADP 0.002734 0.4455 12
141 3U7Y FLC 0.03563 0.43424 12
142 2GN2 C5P 0.0008337 0.4305 12
143 1BDB NAD 0.001186 0.42666 12
144 1CR1 TTP 0.003302 0.41055 12
145 1SS4 GSH 0.02897 0.44055 12.6667
146 2P8B NSK 0.003261 0.42647 12.6667
147 4GQB 0XU 0.0006895 0.4222 13.3333
148 1Q3Q ANP 0.002103 0.40998 13.3333
149 3UXL CFI 0.001833 0.42847 15.3333
150 2YP9 SIA CMO 0.004957 0.40407 15.3333
151 1Z34 2FD 0.001894 0.40739 16
152 1X1T NAD 0.006898 0.4011 16
153 1RSD PSB 0.004237 0.43805 17.3554
154 4TMK T5A 0.01426 0.40491 18.6667
155 5DRN 5CT 0.02597 0.42675 20.6667
Feedback