Structure of PDB 6zy0 Chain A

Receptor sequence

>6zy0A (length=701) Species: 391937 (Nitratireductor pacificus pht-3B)

AQISMRLYSNRDRPNHLGPLALERLARVDDVVAQPARQPEDGFAASEDSL
LGDVEEYARLFTRFLDGPVAPLGDAIPDDPARRAENLKASAYFLDASMVG
ICRLDPDDRAGDCDPSHTHALVFAVQFGREPEAGEAGAEWIRGTNAARTD
MRCAEIAAILSGYVRWMGFPARGHFSGDAQVDLARLAVRAGLARVVDGVL
VAPFLRRGFRLGVVTTGYALAADRPLAPEGDLGETAPEVMLGIDGTRPGW
EDAEEEKRPLHMGRYPMETIRRVDEPTTLVVRQEIQRVAKRGDFFKRAEA
GDLGEKAKQEKKRFPMKHPLALGMQPLIQNMVPLQGTREKLAPTGKGGDL
SDPGRNAEAIKALGYYLGADFVGICRAEPWMYYASDEVEGKPIEAYHDYA
VVMLIDQGYETMEGASGDDWISASQSMRAYMRGAEIAGVMAAHCRRMGYS
ARSHSNAHSEVIHNPAILMAGLGEVSRIGDTLLNPFIGPRSQSIVFTTDL
PMSVDRPIDFGLQDFCNQCRKCARECPCNAISFGDKVMFNGYEIWKADVE
KCTKYRVTQMKGSACGRCMKMCPWNREDTVEGRRLAELSIKVPEARAAII
AMDDALQNGKRNLIKRWWFDLEVIDGVAGAPRMGTNERDLSPDRGDKIGA
NQKLAMYPPRLQPPPGTTLDAVLPVDRSGGLAEYAAAETPAAARARLKSS
A

3D structure

• PDB: 6zy0 Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
• Chain: A
• Resolution: 2.13 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	A	R473 L479 F511 C512 C515 C518 C568 P569 W570	R477 L483 F515 C516 C519 C522 C572 P573 W574
BS02	SF4	A	C522 P523 C548 C561 C564	C526 P527 C552 C565 C568
BS03	B12	A	D289 F290 F291 Y379 Y426 I458 H459 N460 P461 I463 I474 D476 T477 L478 Q488 S489 F535 Y538 K542 V545 T549 R552 M565	D293 F294 F295 Y383 Y430 I462 H463 N464 P465 I467 I478 D480 T481 L482 Q492 S493 F539 Y542 K546 V549 T553 R556 M569

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:6zy0, PDBe:6zy0, PDBj:6zy0
• PDBsum: 6zy0
• PubMed: 32887524
• UniProt: K2MB66