3A9R

x-ray structures of bacillus pallidus d-arabinose isomerasecomplex with (4r)-2-methylpentane-2,4-diol

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 196
  • Norm. En. per Res.: -4.0447
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-117.0318	-29.3316	-615.881	-762.2444	195	21	11	23193	10	56	77
A-C	-102.4249	-50.6568	-580.325	-733.4068	184	27	10	22533	12	56	78
B-C	-146.328	-33.1232	-613.319	-792.7702	196	20	12	23255	12	57	77

Interface residues

• A-B: ALA123B, ALA127B, ALA128B, ALA131B, ALA151B, ALA193A, ALA365A, ALA375A, ALA517A, ALA530A, ALA570B, ALA582A, ALA582B, ALA586B, ARG120B, ARG23B, ARG24B, ARG28B, ARG308A, ARG368A, ARG378A, ARG446A, ARG466A, ARG498A, ARG567A, ARG567B, ARG585A, ARG585B, ASN116B, ASN134B, ASN345A, ASN397A, ASN468A, ASN526A, ASN527A, ASN531A, ASN556A, ASN559A, ASP147B, ASP150B, ASP153B, ASP159B, ASP21B, ASP312A, ASP366A, ASP496A, ASP500A, ASP520A, ASP569B, ASP578A, ASP578B, ASP583A, CYS94B, CYS96B, GLN135B, GLN149B, GLN198A, GLN305A, GLN307A, GLN309A, GLN478A, GLU100B, GLU119B, GLU29B, GLU342A, GLU374A, GLU443A, GLU515A, GLU562A, GLU562B, GLU563B, GLU580A, GLU580B, GLY117B, GLY122B, GLY132B, GLY137B, GLY142B, GLY145B, GLY191A, GLY194A, GLY22B, GLY26B, GLY472A, GLY474A, GLY516A, GLY529A, GLY575B, GLY581A, GLY581B, GLY68B, GLY98B, HIS394A, HIS532A, HIS558A, ILE143B, ILE192A, ILE393A, ILE396A, ILE469A, ILE479A, ILE545A, ILE565A, ILE565B, LEU126B, LEU130B, LEU138B, LEU31B, LEU346A, LEU467A, LEU473A, LEU477A, LEU495A, LEU579A, LEU579B, LEU590B, LYS136B, LYS146B, LYS163B, LYS25B, LYS471A, LYS497A, LYS519A, LYS577B, LYS588A, LYS588B, LYS589A, LYS589B, MET102B, MET190A, MET525A, MET557A, MET573B, PHE115B, PHE254A, PHE445A, PHE518A, PHE566B, PHE574B, PRO121B, PRO139B, PRO373A, PRO475A, PRO501A, PRO554A, PRO561B, SER189A, SER195A, SER30B, SER372A, SER398A, SER441A, SER523A, SER572B, THR101B, THR118B, THR311A, THR369A, THR442A, THR499A, THR513A, THR576B, THR99B, TRP371A, TRP503A, TRP507A, TRP528A, TRP571B, TRP95B, TYR125B, TYR133B, TYR144B, TYR370A, TYR444A, TYR522A, TYR584A, TYR97B, VAL124B, VAL129B, VAL148B, VAL160B, VAL188A, VAL196A, VAL197A, VAL27B, VAL367A, VAL376A, VAL379A, VAL470A, VAL476A, VAL494A, VAL521A, VAL524A, VAL555A, VAL560A
• A-C: ALA123A, ALA127A, ALA128A, ALA131A, ALA151A, ALA193C, ALA375C, ALA517C, ALA530C, ALA570A, ALA582A, ALA582C, ALA586A, ARG120A, ARG23A, ARG24A, ARG28A, ARG308C, ARG368C, ARG378C, ARG446C, ARG466C, ARG498C, ARG585A, ARG585C, ASN116A, ASN134A, ASN345C, ASN468C, ASN526C, ASN527C, ASN531C, ASN556C, ASP147A, ASP150A, ASP153A, ASP159A, ASP21A, ASP312C, ASP366C, ASP496C, ASP500C, ASP520C, ASP569A, ASP578A, ASP578C, ASP583C, CYS94A, CYS96A, GLN135A, GLN149A, GLN198C, GLN305C, GLN307C, GLN309C, GLN478C, GLU100A, GLU119A, GLU29A, GLU342C, GLU374C, GLU443C, GLU515C, GLU562A, GLU562C, GLU563A, GLU580A, GLU580C, GLY117A, GLY122A, GLY132A, GLY137A, GLY142A, GLY145A, GLY191C, GLY194C, GLY22A, GLY26A, GLY472C, GLY474C, GLY516C, GLY529C, GLY575A, GLY581A, GLY581C, GLY68A, GLY98A, HIS394C, HIS532C, HIS558C, ILE143A, ILE192C, ILE393C, ILE396C, ILE469C, LEU126A, LEU130A, LEU138A, LEU31A, LEU346C, LEU467C, LEU473C, LEU477C, LEU495C, LEU579A, LEU579C, LEU590A, LYS136A, LYS146A, LYS163A, LYS25A, LYS471C, LYS497C, LYS519C, LYS577A, LYS577C, LYS588A, LYS588C, LYS589A, LYS589C, MET102A, MET190C, MET525C, MET557C, MET573A, PHE115A, PHE254C, PHE445C, PHE518C, PHE566A, PHE574A, PRO121A, PRO139A, PRO373C, PRO501C, PRO554C, SER189C, SER195C, SER30A, SER372C, SER398C, SER441C, SER523C, SER572A, THR101A, THR118A, THR311C, THR369C, THR442C, THR499C, THR513C, THR576A, THR99A, TRP371C, TRP503C, TRP507C, TRP528C, TRP571A, TRP95A, TYR125A, TYR133A, TYR144A, TYR370C, TYR444C, TYR522C, TYR584C, TYR97A, VAL124A, VAL129A, VAL148A, VAL160A, VAL188C, VAL196C, VAL197C, VAL27A, VAL367C, VAL376C, VAL379C, VAL470C, VAL476C, VAL494C, VAL521C, VAL524C, VAL555C
• B-C: ALA123C, ALA127C, ALA128C, ALA131C, ALA151C, ALA193B, ALA375B, ALA517B, ALA530B, ALA570C, ALA582B, ALA582C, ALA586C, ARG120C, ARG23C, ARG24C, ARG28C, ARG308B, ARG368B, ARG378B, ARG446B, ARG466B, ARG498B, ARG567B, ARG585B, ARG585C, ASN116C, ASN134C, ASN345B, ASN397B, ASN468B, ASN526B, ASN527B, ASN531B, ASN556B, ASN559B, ASP147C, ASP150C, ASP153C, ASP159C, ASP21C, ASP312B, ASP366B, ASP496B, ASP500B, ASP520B, ASP569C, ASP578B, ASP578C, ASP583B, CYS94C, CYS96C, GLN135C, GLN149C, GLN198B, GLN305B, GLN307B, GLN309B, GLN478B, GLU100C, GLU119C, GLU29C, GLU342B, GLU374B, GLU443B, GLU515B, GLU562B, GLU562C, GLU563C, GLU580B, GLU580C, GLY117C, GLY122C, GLY132C, GLY137C, GLY142C, GLY145C, GLY191B, GLY194B, GLY22C, GLY253B, GLY26C, GLY472B, GLY474B, GLY516B, GLY529B, GLY575C, GLY581B, GLY581C, GLY68C, GLY98C, HIS394B, HIS532B, HIS558B, ILE143C, ILE192B, ILE393B, ILE396B, ILE469B, ILE479B, ILE545B, ILE565B, LEU126C, LEU130C, LEU138C, LEU31C, LEU346B, LEU467B, LEU473B, LEU477B, LEU495B, LEU579B, LEU579C, LEU590C, LYS136C, LYS146C, LYS163C, LYS25C, LYS471B, LYS497B, LYS519B, LYS564C, LYS577B, LYS577C, LYS588B, LYS588C, LYS589B, LYS589C, MET102C, MET190B, MET525B, MET557B, MET573C, PHE115C, PHE254B, PHE445B, PHE518B, PHE566C, PHE574C, PRO121C, PRO139C, PRO373B, PRO475B, PRO501B, PRO554B, PRO561B, PRO561C, SER189B, SER195B, SER30C, SER372B, SER398B, SER441B, SER523B, SER572C, THR101C, THR118C, THR311B, THR369B, THR442B, THR499B, THR513B, THR576C, THR99C, TRP371B, TRP503B, TRP507B, TRP528B, TRP571C, TRP95C, TYR125C, TYR133C, TYR144C, TYR370B, TYR444B, TYR522B, TYR584B, TYR97C, VAL124C, VAL129C, VAL148C, VAL160C, VAL188B, VAL196B, VAL197B, VAL27C, VAL367B, VAL376B, VAL379B, VAL470B, VAL476B, VAL494B, VAL521B, VAL524B, VAL555B, VAL560B