Structure of PDB 6zxx Chain A

Receptor sequence

>6zxxA (length=700) Species: 391937 (Nitratireductor pacificus pht-3B)

QISMRLYSNRDRPNHLGPLALERLARVDDVVAQPARQPEDGFAASEDSLL
GDVEEYARLFTRFLDGPVAPLGDAIPDDPARRAENLKASAYFLDASMVGI
CRLDPDDRAGDCDPSHTHALVFAVQFGREPEAGEAGAEWIRGTNAARTDM
RCAEIAAILSGYVRWMGFPARGHFSGDAQVDLARLAVRAGLARVVDGVLV
APFLRRGFRLGVVTTGYALAADRPLAPEGDLGETAPEVMLGIDGTRPGWE
DAEEEKRPLHMGRYPMETIRRVDEPTTLVVRQEIQRVAKRGDFFKRAEAG
DLGEKAKQEKKRFPMKHPLALGMQPLIQNMVPLQGTREKLAPTGKGGDLS
DPGRNAEAIKALGYYLGADFVGICRAEPWMYYASDEVEGKPIEAYHDYAV
VMLIDQGYETMEGASGDDWISASQSMRAYMRGAEIAGVMAAHCRRMGYSA
RSHSNAHSEVIHNPAILMAGLGEVSRIGDTLLNPFIGPRSKSIVFTTDLP
MSVDRPIDFGLQDFCNQCRKCARECPCNAISFGDKVMFNGYEIWKADVEK
CTKYRVTQMKGSACGRCMKMCPWNREDTVEGRRLAELSIKVPEARAAIIA
MDDALQNGKRNLIKRWWFDLEVIDGVAGAPRMGTNERDLSPDRGDKIGAN
QKLAMYPPRLQPPPGTTLDAVLPVDRSGGLAEYAAAETPAAARARLKSSA

3D structure

• PDB: 6zxx Catabolic Reductive Dehalogenase Substrate Complex Structures Underpin Rational Repurposing of Substrate Scope.
• Chain: A
• 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	A	R473 L479 F511 C512 C515 C518 C568 P569	R476 L482 F514 C515 C518 C521 C571 P572
BS02	SF4	A	C522 P523 C548 R552 C561 C564	C525 P526 C551 R555 C564 C567
BS03	B12	A	D289 F290 F291 Y379 Y426 I458 H459 N460 P461 I463 I474 D476 T477 L478 S487 K488 S489 F535 Y538 K542 C548 T549 R552 M565	D292 F293 F294 Y382 Y429 I461 H462 N463 P464 I466 I477 D479 T480 L481 S490 K491 S492 F538 Y541 K545 C551 T552 R555 M568
BS04	QSH	A	F291 A419 S422 M423 Y426 N452 K488 R552	F294 A422 S425 M426 Y429 N455 K491 R555
BS05	QSB	A	F310 P311 A419 S422 M423 Y426 N452 K488 R552	F313 P314 A422 S425 M426 Y429 N455 K491 R555

Gene Ontology

Molecular Function

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

External links

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