Structure of PDB 4rkm Chain A

Receptor sequence

>4rkmA (length=659) Species: 273121 (Wolinella succinogenes DSM 1740)

MQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTKY
GGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNST
LQYPNKFIGPEKCGECHPAQYETWSRSRHATTIRFPGEHPEVNNKLNDPV
FDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLKN
GTGQIVAGGNQWQRTWALNLSPEVAKKIKKWVPDFPVTLEEYGDNGGYVR
GLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQK
HTISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPLN
AGKPDLALSSKFKSMGPGCGSEGSQTYFTAHYEKGMRCATCHDPHDVTGN
VTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQSKADTHS
KNSCASCHMPFMMSCENFYAIQFQDQAGFDTQRRAHIWKIDVDPARKSLV
AGSTSKDPRDGKDWHFERNEEGRNFVDLMWACARTTWADKDQAEAKGCHS
PVVSELKETLHFKDQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLEVK
KLAPSDKTRVYELIEKAQDTVDLIEKDGSWGMHGFKYTKQRLDAAVEYIN
EAQRIMKKS

3D structure

• PDB: 4rkm The octahaem MccA is a haem c-copper sulfite reductase.
• Chain: A
• Resolution: 2.2 Å

Enzymatic activity

• Enzyme Commision number: 1.8.99.-

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	CU1	A	C399 C495	C369 C465
BS02	BU3	A	S394 Y499 D540	S364 Y469 D510
BS03	HEM	A	C143 C146 H147 H343 H348 L349	C113 C116 H117 H313 H318 L319
BS04	HEM	A	Y123 V202 G203 H204 R206 T207 K208 F209 R218 Y301 C302 C305 H306 H364 C399 G400 E402 C495 R513	Y93 V172 G173 H174 R176 T177 K178 F179 R188 Y271 C272 C275 H276 H334 C369 G370 E372 C465 R483
BS05	HEM	A	H147 Q150 Y151 W154 H159 C339 C342 H343 I357 P424 H425 K459	H117 Q120 Y121 W124 H129 C309 C312 H313 I327 P394 H395 K429
BS06	HEM	A	R158 H159 T162 H204 C305 H306 V337 C360 R362 C363 H364 V427 T428 S454 P456 R513	R128 H129 T132 H174 C275 H276 V307 C330 R332 C333 H334 V397 T398 S424 P426 R483
BS07	HEM	A	R206 H364 E402 G403 C418 C421 H422 K455 P456 M489 F491 R513 R514 H516 W518	R176 H334 E372 G373 C388 C391 H392 K425 P426 M459 F461 R483 R484 H486 W488
BS08	HEM	A	H411 M416 C462 C465 H466 H488 W518 R553	H381 M386 C432 C435 H436 H458 W488 R523
BS09	HEM	A	H466 Q469 Q473 H479 C484 C487 H488 I520 Q606 G658 H663	H436 Q439 Q443 H449 C454 C457 H458 I490 Q576 G628 H633
BS10	HEM	A	T478 H479 S486 C487 C562 A575 C578 H579 L586 L590 F592 W605	T448 H449 S456 C457 C532 A545 C548 H549 L556 L560 F562 W575
BS11	HEM	A	V125 A126 I357 S358 N359 C360 E361 R362	V95 A96 I327 S328 N329 C330 E331 R332

Gene Ontology

Molecular Function

• GO:0016002 sulfite reductase activity
• GO:0020037 heme binding

Biological Process

• GO:0070814 hydrogen sulfide biosynthetic process

External links

• PDB: RCSB:4rkm, PDBe:4rkm, PDBj:4rkm
• PDBsum: 4rkm
• PubMed: 25642962
• UniProt: Q7MSJ8|MCCA_WOLSU Dissimilatory sulfite reductase MccA (Gene Name=mccA)