Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T63068 Target Info
Target Name Serum albumin (ALB)
Synonyms Serum albumin
Target Type Successful Target
Gene Name ALB
UniProt ID
ALBU_HUMAN
Ligand General Information  Top
Ligand Name Decanoic acid Ligand Info
Canonical SMILES CCCCCCCCCC(=O)O
InChI 1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKey GHVNFZFCNZKVNT-UHFFFAOYSA-N
PubChem Compound ID 2969
Drug Binding Sites of Target  Top
PDB ID: 1E7E      HUMAN SERUM ALBUMIN COMPLEXED WITH DECANOIC ACID (CAPRIC ACID)
Method X-ray diffraction Resolution 2.50 Å Mutation No [1]
PDB Sequence
HKSEVAHRFK
12
DLGEENFKAL
22
VLIAFAQYLQ
32
QCPFEDHVKL
42
VNEVTEFAKT
52

CVADESAENC
62
DKSLHTLFGD
72
KLCTVATLRE
82
TYGEMADCCA
92
KQEPERNECF
102

LQHKDDNPNL
112
PRLVRPEVDV
122
MCTAFHDNEE
132
TFLKKYLYEI
142
ARRHPYFYAP
152

ELLFFAKRYK
162
AAFTECCQAA
172
DKAACLLPKL
182
DELRDEGKAS
192
SAKQRLKCAS
202

LQKFGERAFK
212
AWAVARLSQR
222
FPKAEFAEVS
232
KLVTDLTKVH
242
TECCHGDLLE
252

CADDRADLAK
262
YICENQDSIS
272
SKLKECCEKP
282
LLEKSHCIAE
292
VENDEMPADL
302

PSLAADFVES
312
KDVCKNYAEA
322
KDVFLGMFLY
332
EYARRHPDYS
342
VVLLLRLAKT
352

YETTLEKCCA
362
AADPHECYAK
372
VFDEFKPLVE
382
EPQNLIKQNC
392
ELFEQLGEYK
402

FQNALLVRYT
412
KKVPQVSTPT
422
LVEVSRNLGK
432
VGSKCCKHPE
442
AKRMPCAEDY
452

LSVVLNQLCV
462
LHEKTPVSDR
472
VTKCCTESLV
482
NRRPCFSALE
492
VDETYVPKEF
502

NAETFTFHAD
512
ICTLSEKERQ
522
IKKQTALVEL
532
VKHKPKATKE
542
QLKAVMDDFA
552

AFVEKCCKAD
562
DKETCFAEEG
572
KKLVAASQAA
582
LG
Residue
Distance (Å)
ARG10
3.959
LEU14
4.032
LEU22
4.665
ARG117
2.954
MET123
4.218
LEU135
3.577
TYR138
3.506
LEU139
3.905
ILE142
4.881
HIS146
4.229
TYR150
2.687
PRO152
4.197
ALA158
4.106
TYR161
3.339
PHE165
4.359
LEU182
4.154
ARG186
4.158
ASP187
3.556
LYS190
3.294
ALA191
4.012
SER193
3.879
ALA194
3.838
LYS195
3.551
LEU198
3.656
LYS199
3.893
SER202
3.594
PHE206
3.010
ARG209
3.731
ALA210
3.571
PHE211
4.069
LYS212
4.172
ALA213
3.850
TRP214
3.733
VAL216
4.376
ARG218
4.648
LEU219
3.602
ARG222
3.578
PHE223
4.943
PHE228
4.753
SER232
4.437
THR236
4.901
LEU238
4.051
VAL241
4.639
HIS242
3.876
LEU251
4.069
ALA254
3.451
ARG257
3.252
ALA258
4.275
LEU260
3.660
ILE264
4.269
LEU283
3.101
LEU284
3.673
SER287
2.511
ILE290
3.711
ALA291
3.686
ASP324
3.977
LEU327
3.713
Residue
Distance (Å)
GLY328
4.128
LEU331
4.829
SER342
3.074
VAL344
3.635
LEU345
4.446
LEU347
4.105
ARG348
3.062
ALA350
4.297
LYS351
4.364
GLU354
4.235
PRO384
3.569
LEU387
3.627
ILE388
3.486
TYR401
3.334
LYS402
3.864
ASN405
3.947
ARG410
2.817
TYR411
2.617
VAL415
3.510
VAL418
4.149
LEU423
3.769
VAL426
3.796
ASN429
3.685
LEU430
3.927
LYS432
4.210
VAL433
4.561
LYS436
2.893
MET446
4.467
ALA449
3.675
GLU450
4.151
ASP451
4.813
TYR452
4.615
LEU453
3.465
SER454
3.276
VAL455
4.619
VAL456
4.403
LEU457
3.836
GLN459
3.262
LEU460
3.696
GLU479
4.498
SER480
2.919
LEU481
2.704
VAL482
3.745
ARG485
3.351
PRO486
4.801
PHE488
3.595
SER489
2.973
PHE507
3.878
LYS525
3.167
ALA528
3.911
LEU529
3.874
LEU532
3.468
VAL547
4.596
MET548
3.404
PHE551
4.049
ALA552
4.562
PDB ID: 2VDB      Structure of human serum albumin with S-naproxen and the GA module
Method X-ray diffraction Resolution 2.52 Å Mutation No [2]
PDB Sequence
EVAHRFKDLG
15
EENFKALVLI
25
AFAQYLQQCP
35
FEDHVKLVNE
45
VTEFAKTCVA
55

DESAENCDKS
65
LHTLFGDKLC
75
TVATLEMADC
90
CAKQEPERNE
100
CFLQHKDDNP
110

NLPRLVRPEV
120
DVMCTAFHDN
130
EETFLKKYLY
140
EIARRHPYFY
150
APELLFFAKR
160

YKAAFTECCQ
170
AADKAACLLP
180
KLDELRDEGK
190
ASSAKQRLKC
200
ASLQKFGERA
210

FKAWAVARLS
220
QRFPKAEFAE
230
VSKLVTDLTK
240
VHTECCHGDL
250
LECADDRADL
260

AKYICENQDS
270
ISSKLKECCE
280
KPLLEKSHCI
290
AEVENDEMPA
300
DLPSLAADFV
310

ESKDVCKNYA
320
EAKDVFLGMF
330
LYEYARRHPD
340
YSVVLLLRLA
350
KTYETTLEKC
360

CAAADPHECY
370
AKVFDEFKPL
380
VEEPQNLIKQ
390
NCELFEQLGE
400
YKFQNALLVR
410

YTKKVPQVST
420
PTLVEVSRNL
430
GKVGSKCCKH
440
PEAKRMPCAE
450
DYLSVVLNQL
460

CVLHEKTPVS
470
DRVTKCCTES
480
LVNRRPCFSA
490
LEVDETYVPK
500
EFNAETFTFH
510

ADICTLSEKE
520
RQIKKQTALV
530
ELVKHKPKAT
540
KEQLKAVMDD
550
FAAFVEKCCK
560

ADDKETCFAE
570
EGKKLVAASQ
580
AALG
Residue
Distance (Å)
ARG10
3.461
LEU14
3.768
LEU22
3.896
LEU66
4.524
LEU115
4.224
ARG117
2.981
PRO118
4.997
MET123
4.534
LEU135
4.113
TYR138
3.224
LEU139
4.238
ILE142
3.576
TYR150
2.508
PRO152
3.751
ALA158
4.249
TYR161
3.582
PHE165
4.114
LEU182
4.189
ARG186
3.049
LYS199
4.667
ARG209
3.906
LYS212
4.645
ALA213
3.785
TRP214
3.966
VAL216
4.223
ARG218
3.876
LEU219
3.790
ARG222
4.305
PHE223
4.686
PHE228
4.181
SER232
4.275
LEU238
3.523
VAL241
4.873
LEU250
4.667
LEU251
3.376
ALA254
3.591
ARG257
2.848
ALA258
3.600
LEU260
3.560
ALA261
4.424
ILE264
4.061
LEU283
3.289
Residue
Distance (Å)
LEU284
3.702
SER287
2.752
ILE290
3.669
ALA291
2.851
GLU292
4.989
ASP324
3.347
VAL325
4.685
LEU327
3.895
GLY328
3.761
LEU331
4.504
SER342
3.514
VAL344
3.326
LEU345
4.335
LEU347
4.191
ARG348
2.330
ALA350
4.057
LYS351
4.530
GLU354
4.459
PRO384
3.924
LEU387
3.323
ILE388
4.320
ASN391
3.790
LEU407
4.852
ARG410
3.524
TYR411
2.249
VAL415
4.345
VAL418
4.384
LEU423
4.123
VAL426
4.519
LEU430
3.915
MET446
4.074
ALA449
4.153
GLU450
4.446
LEU453
4.092
LEU457
4.083
LEU460
3.680
VAL473
4.896
ARG485
2.941
PRO486
4.454
PHE488
3.538
SER489
2.244
LEU491
4.596
PDB ID: 1TF0      Crystal structure of the GA module complexed with human serum albumin
Method X-ray diffraction Resolution 2.70 Å Mutation No [3]
PDB Sequence
SEVAHRFKDL
14
GEENFKALVL
24
IAFAQYLQQC
34
PFEDHVKLVN
44
EVTEFAKTCV
54

ADESAENCDK
64
SLHTLFGDKL
74
CTDCCAKQEP
96
ERNECFLQHK
106
DDNPNLPRLV
116

RPEVDVMCTA
126
FHDNEETFLK
136
KYLYEIARRH
146
PYFYAPELLF
156
FAKRYKAAFT
166

ECCQAADKAA
176
CLLPKLDELR
186
DEGKASSAKQ
196
RLKCASLQKF
206
GERAFKAWAV
216

ARLSQRFPKA
226
EFAEVSKLVT
236
DLTKVHTECC
246
HGDLLECADD
256
RADLAKYICE
266

NQDSISSKLK
276
ECCEKPLLEK
286
SHCIAEVEND
296
EMPADLPSLA
306
ADFVESKDVC
316

KNYAEAKDVF
326
LGMFLYEYAR
336
RHPDYSVVLL
346
LRLAKTYETT
356
LEKCCAAADP
366

HECYAKVFDE
376
FKPLVEEPQN
386
LIKQNCELFE
396
QLGEYKFQNA
406
LLVRYTKKVP
416

QVSTPTLVEV
426
SRNLGKVGSK
436
CCKHPEAKRM
446
PCAEDYLSVV
456
LNQLCVLHEK
466

TPVSDRVTKC
476
CTESLVNRRP
486
CFSALEVDET
496
YVPKEFNAET
506
FTFHADICTL
516

SEKERQIKKQ
526
TALVELVKHK
536
PKATKEQLKA
546
VMDDFAAFVE
556
KCCKADDKET
566

CFAEEG
Residue
Distance (Å)
TYR150
3.059
GLN196
4.882
LYS199
2.964
PHE206
4.075
ARG209
3.989
ALA210
3.359
LYS212
4.103
ALA213
4.007
TRP214
4.935
VAL216
3.686
LEU219
3.920
ARG222
3.278
PHE228
3.157
SER232
3.233
VAL235
4.102
LEU238
3.303
HIS242
2.562
ARG257
3.031
Residue
Distance (Å)
LEU260
4.142
ILE264
4.659
SER287
4.446
ILE290
4.017
ALA291
3.634
ASP324
3.666
VAL325
4.205
LEU327
3.613
GLY328
3.779
LEU331
4.608
LEU347
4.095
ALA350
3.859
LYS351
2.627
GLU354
3.953
GLU479
3.856
SER480
2.779
LEU481
2.867
VAL482
3.559
References  Top
REF 1 Crystallographic analysis reveals common modes of binding of medium and long-chain fatty acids to human serum albumin. J Mol Biol. 2000 Nov 10;303(5):721-32.
REF 2 Structural basis for the binding of naproxen to human serum albumin in the presence of fatty acids and the GA module. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2008 Feb 1;64(Pt 2):64-9.
REF 3 Crystal structure and biological implications of a bacterial albumin binding module in complex with human serum albumin. J Biol Chem. 2004 Oct 8;279(41):42924-8.

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