Site # |
Ligand |
Ligand chain |
Binding residues on receptor (original residue number in PDB) |
Binding residues on receptor (residue number reindexed from 1) |
Binding affinity |
BS01 |
CL0 |
B |
L625 W626 |
L623 W624 |
|
BS02 |
CLA |
B |
S427 L428 G431 F432 I534 F582 W583 |
S425 L426 G429 F430 I532 F580 W581 |
|
BS03 |
CLA |
B |
W649 L652 F653 H655 L656 A659 F662 |
W647 L650 F651 H653 L654 A657 F660 |
|
BS04 |
CLA |
B |
T686 P687 |
T684 P685 |
|
BS05 |
CLA |
B |
S421 S424 W425 L428 |
S419 S422 W423 L426 |
|
BS06 |
CLA |
B |
L679 H683 |
L677 H681 |
|
BS07 |
SF4 |
B |
C560 C569 |
C558 C567 |
|
BS08 |
CLA |
B |
D442 W583 N586 W590 L617 |
D440 W581 N584 W588 L615 |
|
BS09 |
CLA |
B |
W590 F593 L617 W620 L625 F651 H655 Y658 Y718 T721 Y722 F725 |
W588 F591 L615 W618 L623 F649 H653 Y656 Y716 T719 Y720 F723 |
|
BS10 |
CLA |
B |
A659 T660 F662 M663 Y671 W672 |
A657 T658 F660 M661 Y669 W670 |
|
BS11 |
CLA |
B |
F6 A29 H30 F32 I57 |
F4 A27 H28 F30 I55 |
|
BS12 |
CLA |
B |
H30 F32 Y44 I47 S50 H51 Q54 R175 L331 Q334 L335 A338 |
H28 F30 Y42 I45 S48 H49 Q52 R173 L329 Q332 L333 A336 |
|
BS13 |
CLA |
B |
Q54 I58 W61 F382 |
Q52 I56 W59 F380 |
|
BS14 |
CLA |
B |
L60 G64 F67 H68 Q72 |
L58 G62 F65 H66 Q70 |
|
BS15 |
CLA |
B |
N65 A89 H90 N115 S117 S119 V646 W647 |
N63 A87 H88 N113 S115 S117 V644 W645 |
|
BS16 |
CLA |
B |
I92 W93 D94 H96 N115 V646 |
I90 W91 D92 H94 N113 V644 |
|
BS17 |
CLA |
B |
P95 H96 |
P93 H94 |
|
BS18 |
CLA |
B |
F52 A153 L156 H157 F162 W168 |
F50 A151 L154 H155 F160 W166 |
|
BS19 |
CLA |
B |
W168 S174 H178 F296 |
W166 S172 H176 F294 |
|
BS20 |
CLA |
B |
F48 H51 F52 L55 W124 W168 R175 H178 H179 L183 |
F46 H49 F50 L53 W122 W166 R173 H176 H177 L181 |
|
BS21 |
CLA |
B |
M130 F142 A190 W191 H194 H197 V198 G209 W210 F213 |
M128 F140 A188 W189 H192 H195 V196 G207 W208 F211 |
|
BS22 |
CLA |
B |
L189 A190 H197 L214 P218 G222 L223 |
L187 A188 H195 L212 P216 G220 L221 |
|
BS23 |
CLA |
B |
W231 L256 H276 L279 A280 V283 |
W229 L254 H274 L277 A278 V281 |
|
BS24 |
CLA |
B |
F258 G260 L269 H276 H277 H352 W498 |
F256 G258 L267 H274 H275 H350 W496 |
|
BS25 |
CLA |
B |
W124 I128 S187 W191 M274 H277 H278 I281 I345 L348 V349 P358 |
W122 I126 S185 W189 M272 H275 H276 I279 I343 L346 V347 P356 |
|
BS26 |
CLA |
B |
L180 I284 F285 A288 M291 Y292 |
L178 I282 F283 A286 M289 Y290 |
|
BS27 |
CLA |
B |
N177 H178 S181 H290 T294 F296 |
N175 H176 S179 H288 T292 F294 |
|
BS28 |
CLA |
B |
V287 M291 I298 G299 H300 |
V285 M289 I296 G297 H298 |
|
BS29 |
CLA |
B |
H300 A304 I305 A308 H309 |
H298 A302 I303 A306 H307 |
|
BS30 |
CLA |
B |
H309 H320 V408 |
H307 H318 V406 |
|
BS31 |
CLA |
B |
A172 R175 L176 F184 F324 V327 L337 S341 |
A170 R173 L174 F182 F322 V325 L335 S339 |
|
BS32 |
CLA |
B |
S347 L348 Q351 M384 F388 L528 T531 T532 |
S345 L346 Q349 M382 F386 L526 T529 T530 |
|
BS33 |
CLA |
B |
T344 L348 H352 S355 F510 |
T342 L346 H350 S353 F508 |
|
BS34 |
CLA |
B |
W61 T118 A371 H375 Y378 I379 I719 A723 |
W59 T116 A369 H373 Y376 I377 I717 A721 |
|
BS35 |
CLA |
B |
W61 T62 G120 W124 T346 V349 Y359 L372 H375 H376 |
W59 T60 G118 W122 T344 V347 Y357 L370 H373 H374 |
|
BS36 |
CLA |
B |
A27 H30 D31 L335 L339 G386 H390 I393 R397 Y556 Y574 F577 |
A25 H28 D29 L333 L337 G384 H388 I391 R395 Y554 Y572 F575 |
|
BS37 |
CLA |
B |
L316 V408 R411 M412 H415 L419 H422 |
L314 V406 R409 M410 H413 L417 H420 |
|
BS38 |
CLA |
B |
H422 W425 |
H420 W423 |
|
BS39 |
CLA |
B |
W425 L428 F429 F432 H433 |
W423 L426 F427 F430 H431 |
|
BS40 |
CLA |
B |
G436 V439 H440 V443 M444 K452 I454 |
G434 V437 H438 V441 M442 K450 I452 |
|
BS41 |
CLA |
B |
I464 H468 L479 W498 |
I462 H466 L477 W496 |
|
BS42 |
CLA |
B |
L478 A486 N489 W494 |
L476 A484 N487 W492 |
|
BS43 |
CLA |
B |
Y354 A461 I464 Q465 F510 L511 H521 I524 V591 Y594 W595 |
Y352 A459 I462 Q463 F508 L509 H519 I522 V589 Y592 W593 |
|
BS44 |
CLA |
B |
F429 L430 P458 F460 F518 H521 H522 |
F427 L428 P456 F458 F516 H519 H520 |
|
BS45 |
CLA |
B |
L423 V426 H529 |
L421 V424 H527 |
|
BS46 |
CLA |
B |
W23 H683 W694 K695 P698 |
W21 H681 W692 K693 P696 |
|
BS47 |
CLA |
B |
F653 I657 T660 V709 H713 |
F651 I655 T658 V707 H711 |
|
BS48 |
CLA |
B |
H309 T310 P311 P312 S315 L316 |
H307 T308 P309 P310 S313 L314 |
|
BS49 |
PQN |
B |
W23 F664 S667 W668 R669 W672 A700 L701 A706 |
W21 F662 S665 W666 R667 W670 A698 L699 A704 |
|
BS50 |
CLA |
B |
K46 S56 I57 L151 L158 |
K44 S54 I55 L149 L156 |
|
BS51 |
CLA |
B |
F460 W463 |
F458 W461 |
|