Structure of PDB 6zy1 Chain C

Receptor sequence

>6zy1C (length=695) Species: 391937 (Nitratireductor pacificus pht-3B)

QISMRLYSNRDRPNHLGPLALERLARVDDVVAQPARQPEDGFAASEDSLL
GDVEEYARLFTRFLDGPVAPLGDAIPDDPARRAENLKASAYFLDASMVGI
CRLDPGDCDPSHTHALVFAVQFGREPEAGEAGAEWIRGTNAARTDMRCAE
IAAILSGYVRWMGFPARGHFSGDAQVDLARLAVRAGLARVVDGVLVAPFL
RRGFRLGVVTTGYALAADRPLAPEGDLGETAPEVMLGIDGTRPGWEDAEE
EKRPLHMGRYPMETIRRVDEPTTLVVRQEIQRVAKRGDFFKRAEAGDLGE
KAKQEKKRFPMKHPLALGMQPLIQNMVPLQGTREKLAPTGKGGDLSDPGR
NAEAIKALGYYLGADFVGICRAEPWMYYASDEVEGKPIEAYHDYAVVMLI
DQGYETMEGASGDDWISASQSMRAYMRGAEIAGVMAAHCRRMGYSARSHS
NAHSEVIHNPAILMAGLGEVSRIGDTLLNPFIGPRSKSIVFTTDLPMSVD
RPIDFGLQDFCNQCRKCARECPCNAISFGDKVMFNGYEIWKADVEKCTKY
RVTQMKGSACGRCMKMCPWNREDTVEGRRLAELSIKVPEARAAIIAMDDA
LQNGKRNLIKRWWFDLEVIDGVAGAPRMGTNERDLSPDRGDKIGANQKLA
MYPPRLQPPPGTTLDAVLPVDRSGGLAEYAAAETPAAARARLKSS

3D structure

• PDB: 6zy1 Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
• Chain: C
• Resolution: 1.99 Å

Interaction with ligand

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	SF4	C	R473 L479 F511 C512 C515 C518 C568 P569 W570	R472 L478 F510 C511 C514 C517 C567 P568 W569
BS02	SF4	C	C522 P523 I527 C548 C561 C564	C521 P522 I526 C547 C560 C563
BS03	B12	C	D289 F290 F291 Y379 Y426 I458 H459 N460 P461 I463 L464 I474 D476 T477 L478 K488 S489 F535 Y538 K542 V545 C548 T549 R552 M565	D288 F289 F290 Y378 Y425 I457 H458 N459 P460 I462 L463 I473 D475 T476 L477 K487 S488 F534 Y537 K541 V544 C547 T548 R551 M564
BS04	QSB	C	F291 A419 S422 M423 Y426 K488 R552	F290 A418 S421 M422 Y425 K487 R551

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding

External links

• PDB: RCSB:6zy1, PDBe:6zy1, PDBj:6zy1
• PDBsum: 6zy1
• PubMed: 32887524
• UniProt: K2MB66