3N5M

crystals structure of a bacillus anthracis aminotransferase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 389
  • Norm. En. per Res.: -4.505
• Hub Node: A(3)

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	-16.9716	-47.0584	-277.471	-341.501	121	6	6	11796	4	58	47
A-C	0.0	0.0	-19.6067	-19.6067	35	0	0	1109	0	9	17
A-D	-189.0873	16.8773	-1532.61	-1704.8199	390	49	56	58632	3	92	97
B-C	-209.5206	6.0405	-1548.97	-1752.4501	389	49	57	58869	3	89	94
B-D	0.0	0.0	-28.9192	-28.9192	42	0	0	1400	0	8	17
C-D	-25.4733	-42.3981	-274.915	-342.7865	122	6	7	11714	4	58	47

Interface residues

• A-B: ALA155A, ALA155B, ALA160A, ALA160B, ALA170A, ALA170B, ALA416A, ALA416B, ARG125A, ARG125B, ARG136A, ARG136B, ARG142A, ARG142B, ARG144A, ARG144B, ARG162A, ARG162B, ARG163A, ARG163B, ARG183A, ARG183B, ARG203A, ARG203B, ASP180A, ASP180B, ASP202A, ASP202B, CYS197A, CYS197B, GLN159A, GLN159B, GLN161A, GLN161B, GLN165A, GLN165B, GLU133A, GLU133B, GLU167A, GLU167B, GLU196A, GLU196B, GLU200A, GLU200B, GLU208A, GLU208B, GLU211A, GLU211B, GLY145A, GLY145B, GLY158A, GLY158B, GLY172A, GLY172B, GLY417A, GLY417B, HIS135A, HIS135B, HIS175A, HIS175B, HIS245A, HIS245B, ILE213A, ILE213B, LEU174A, LEU174B, LEU209A, LEU209B, LEU228A, LEU228B, LYS138A, LYS138B, LYS199A, LYS199B, LYS244A, LYS244B, PHE169A, PHE169B, PHE173A, PHE173B, PRO134A, PRO134B, PRO168A, PRO168B, PRO178A, PRO178B, PRO185A, PRO185B, PRO388A, SER171A, SER171B, SER210A, SER210B, THR157A, THR157B, THR177A, THR177B, THR206A, THR206B, THR212A, THR212B, THR414A, THR414B, THR415A, THR415B, TRP207A, TRP207B, TYR137A, TYR137B, TYR143A, TYR143B, TYR164A, TYR164B, TYR166A, TYR166B, TYR418A, TYR418B, VAL176A, VAL176B, VAL204A, VAL204B
• A-C: ALA129A, ALA129C, ALA170A, ALA170C, ARG125C, ARG136A, ARG136C, ARG313A, ARG313C, GLU133A, GLU133C, GLU167A, GLU167C, GLU211A, GLU211C, GLU308A, GLU308C, GLY132A, GLY132C, HIS135A, HIS135C, LEU209A, LEU209C, PHE169A, PHE169C, PRO134A, PRO134C, PRO168A, PRO168C, SER171A, SER171C, SER210C, TYR137A, TYR309A, TYR309C
• A-D: ALA116A, ALA116D, ALA11A, ALA11D, ALA120A, ALA124A, ALA124D, ALA129A, ALA129D, ALA152A, ALA152D, ALA155A, ALA155D, ALA160A, ALA160D, ALA170A, ALA170D, ALA280A, ALA280D, ALA286A, ALA286D, ALA292A, ALA292D, ALA294A, ALA294D, ALA302A, ALA302D, ALA323A, ALA323D, ALA324A, ALA324D, ALA33A, ALA33D, ALA35A, ALA35D, ALA416A, ALA416D, ALA68A, ALA68D, ALA70A, ALA70D, ALA71A, ALA71D, ALA90A, ALA90D, ALA94A, ALA94D, ARG125A, ARG125D, ARG136A, ARG136D, ARG162A, ARG162D, ARG163A, ARG163D, ARG22A, ARG22D, ARG297A, ARG297D, ARG313A, ARG313D, ARG64A, ARG64D, ASN111A, ASN111D, ASN149A, ASN149D, ASN316A, ASN316D, ASN321A, ASN321D, ASN391A, ASN391D, ASN419A, ASN419D, ASN98A, ASN98D, ASP13A, ASP13D, ASP42A, ASP42D, ASP50A, ASP50D, CYS325A, CYS325D, CYS57A, CYS57D, GLN126A, GLN126D, GLN130A, GLN130D, GLN159A, GLN159D, GLN15A, GLN15D, GLN161A, GLN161D, GLN165A, GLN165D, GLN5A, GLN5D, GLN74A, GLN74D, GLN76A, GLN76D, GLN85A, GLN85D, GLU104A, GLU104D, GLU115A, GLU115D, GLU118A, GLU118D, GLU14A, GLU14D, GLU167A, GLU167D, GLU301A, GLU301D, GLU308A, GLU308D, GLU310A, GLU310D, GLU36A, GLU36D, GLU41A, GLU41D, GLU66A, GLU66D, GLU69A, GLU69D, GLU88A, GLU88D, GLU8A, GLU8D, GLU95A, GLU95D, GLU99A, GLU99D, GLY103A, GLY103D, GLY113A, GLY113D, GLY132A, GLY132D, GLY148A, GLY148D, GLY172A, GLY172D, GLY20A, GLY20D, GLY282A, GLY282D, GLY305A, GLY305D, GLY307A, GLY307D, GLY319A, GLY319D, GLY320A, GLY320D, GLY32A, GLY32D, GLY412A, GLY412D, GLY417A, GLY417D, GLY54A, GLY54D, GLY61A, GLY61D, GLY63A, GLY63D, HIS135A, HIS135D, HIS19A, HIS19D, HIS314A, HIS314D, HIS87A, HIS87D, ILE107A, ILE107D, ILE123A, ILE123D, ILE255A, ILE255D, ILE276A, ILE276D, ILE283A, ILE283D, ILE299A, ILE299D, ILE315A, ILE315D, ILE407A, ILE407D, ILE43A, ILE43D, ILE91A, ILE91D, LEU10A, LEU10D, LEU288A, LEU288D, LEU290A, LEU290D, LEU327A, LEU327D, LEU55A, LEU55D, LEU67A, LEU67D, LEU75A, LEU75D, LEU78A, LEU78D, LEU93A, LEU93D, LEU97A, LEU97D, LEU9A, LEU9D, LYS122A, LYS122D, LYS12A, LYS12D, LYS131A, LYS131D, LYS138A, LYS138D, LYS281A, LYS281D, LYS296A, LYS296D, LYS304A, LYS304D, LYS306A, LYS306D, LYS34A, LYS34D, LYS402A, LYS402D, LYS4D, LYS65A, LYS65D, LYS73A, LYS73D, LYS92A, LYS92D, LYS96A, LYS96D, PHE108A, PHE108D, PHE109A, PHE109D, PHE121A, PHE121D, PHE139A, PHE139D, PHE169A, PHE169D, PHE173A, PHE173D, PHE24A, PHE24D, PHE303A, PHE303D, PHE311A, PHE311D, PHE312A, PHE312D, PHE318A, PHE318D, PHE81A, PHE81D, PRO134A, PRO134D, PRO168A, PRO168D, PRO23A, PRO23D, PRO26A, PRO26D, PRO289A, PRO289D, PRO322A, PRO322D, PRO82A, PRO82D, PRO89A, PRO89D, SER110A, SER110D, SER112A, SER112D, SER114A, SER114D, SER171A, SER171D, SER25A, SER25D, SER285A, SER285D, SER28A, SER28D, SER291A, SER291D, SER53A, SER53D, SER79A, SER79D, SER84A, SER84D, SER86A, SER86D, THR119A, THR119D, THR150A, THR150D, THR153A, THR153D, THR284A, THR284D, THR293A, THR293D, THR29A, THR29D, THR30A, THR30D, THR317A, THR317D, THR414A, THR414D, THR415A, THR415D, THR6A, THR6D, THR77A, THR77D, TRP18A, TRP18D, TRP39A, TRP39D, TRP56A, TRP56D, TYR105A, TYR105D, TYR127A, TYR127D, TYR128A, TYR128D, TYR137A, TYR137D, TYR146A, TYR146D, TYR164A, TYR164D, TYR166A, TYR166D, TYR16A, TYR16D, TYR287A, TYR287D, TYR300A, TYR300D, TYR309A, TYR309D, TYR48A, TYR48D, TYR62A, TYR62D, TYR72A, TYR72D, TYR80A, TYR80D, VAL106A, VAL106D, VAL17A, VAL17D, VAL254A, VAL254D, VAL295A, VAL295D, VAL31A, VAL31D, VAL40A, VAL40D, VAL58A, VAL58D
• B-C: ALA116B, ALA116C, ALA11B, ALA11C, ALA120B, ALA120C, ALA124B, ALA124C, ALA129B, ALA129C, ALA152B, ALA152C, ALA155B, ALA155C, ALA160B, ALA160C, ALA170B, ALA170C, ALA280B, ALA280C, ALA286B, ALA286C, ALA292B, ALA292C, ALA294B, ALA294C, ALA302B, ALA302C, ALA323B, ALA323C, ALA324B, ALA324C, ALA33B, ALA33C, ALA35B, ALA35C, ALA416B, ALA416C, ALA68B, ALA68C, ALA70B, ALA70C, ALA71B, ALA71C, ALA90B, ALA90C, ALA94B, ALA94C, ARG125B, ARG125C, ARG136B, ARG136C, ARG162B, ARG162C, ARG163B, ARG163C, ARG22B, ARG22C, ARG297B, ARG297C, ARG313B, ARG313C, ARG64B, ARG64C, ASN111B, ASN111C, ASN149B, ASN149C, ASN316B, ASN316C, ASN321B, ASN321C, ASN391B, ASN391C, ASN419B, ASN419C, ASN98B, ASN98C, ASP13B, ASP13C, ASP42B, ASP42C, ASP50B, ASP50C, CYS325B, CYS325C, CYS57B, CYS57C, GLN126B, GLN126C, GLN130B, GLN130C, GLN159B, GLN159C, GLN15B, GLN15C, GLN161B, GLN161C, GLN165B, GLN165C, GLN5C, GLN74B, GLN74C, GLN76B, GLN76C, GLN85B, GLN85C, GLU104B, GLU104C, GLU115B, GLU115C, GLU118B, GLU118C, GLU14B, GLU14C, GLU167B, GLU167C, GLU301B, GLU301C, GLU308B, GLU308C, GLU310B, GLU310C, GLU36B, GLU36C, GLU41B, GLU41C, GLU66B, GLU66C, GLU69B, GLU69C, GLU88B, GLU88C, GLU8B, GLU8C, GLU95B, GLU95C, GLU99B, GLU99C, GLY103B, GLY103C, GLY113B, GLY113C, GLY132B, GLY132C, GLY148B, GLY148C, GLY172B, GLY172C, GLY20B, GLY20C, GLY282B, GLY282C, GLY305B, GLY305C, GLY307B, GLY307C, GLY319B, GLY319C, GLY320B, GLY320C, GLY32B, GLY32C, GLY412B, GLY412C, GLY417B, GLY417C, GLY54B, GLY54C, GLY61B, GLY61C, GLY63B, GLY63C, HIS135B, HIS135C, HIS19B, HIS19C, HIS314B, HIS314C, HIS87B, HIS87C, ILE107B, ILE107C, ILE123B, ILE123C, ILE255B, ILE255C, ILE276B, ILE276C, ILE283B, ILE283C, ILE299B, ILE299C, ILE315B, ILE315C, ILE407B, ILE407C, ILE43B, ILE43C, ILE91B, ILE91C, LEU10B, LEU10C, LEU288B, LEU288C, LEU290B, LEU290C, LEU327B, LEU327C, LEU55B, LEU55C, LEU67B, LEU67C, LEU75B, LEU75C, LEU78B, LEU78C, LEU93B, LEU93C, LEU97B, LEU97C, LEU9B, LEU9C, LYS122B, LYS122C, LYS12B, LYS12C, LYS131B, LYS131C, LYS138B, LYS138C, LYS281B, LYS281C, LYS296B, LYS296C, LYS304B, LYS304C, LYS306B, LYS306C, LYS34B, LYS34C, LYS402B, LYS402C, LYS65B, LYS65C, LYS73B, LYS73C, LYS92B, LYS92C, LYS96B, LYS96C, PHE108B, PHE108C, PHE109B, PHE109C, PHE121B, PHE121C, PHE139B, PHE139C, PHE169B, PHE169C, PHE173B, PHE173C, PHE24B, PHE24C, PHE303B, PHE303C, PHE311B, PHE311C, PHE312B, PHE312C, PHE318B, PHE318C, PHE81B, PHE81C, PRO134B, PRO134C, PRO168B, PRO168C, PRO23B, PRO23C, PRO26B, PRO26C, PRO289B, PRO289C, PRO322B, PRO322C, PRO82B, PRO82C, PRO89B, PRO89C, SER110B, SER110C, SER112B, SER112C, SER114B, SER114C, SER171B, SER171C, SER25B, SER25C, SER285B, SER285C, SER28B, SER28C, SER291B, SER291C, SER53B, SER53C, SER79B, SER79C, SER84B, SER84C, SER86B, SER86C, THR119B, THR119C, THR150B, THR150C, THR153B, THR153C, THR284B, THR284C, THR293B, THR293C, THR29B, THR29C, THR30B, THR30C, THR317B, THR317C, THR414B, THR414C, THR415B, THR415C, THR6B, THR6C, THR77B, THR77C, TRP18B, TRP18C, TRP39B, TRP39C, TRP56B, TRP56C, TYR105B, TYR105C, TYR127B, TYR127C, TYR128B, TYR128C, TYR137B, TYR137C, TYR146B, TYR146C, TYR164B, TYR164C, TYR166B, TYR166C, TYR16B, TYR16C, TYR287B, TYR287C, TYR300B, TYR300C, TYR309B, TYR309C, TYR48B, TYR48C, TYR62B, TYR62C, TYR72B, TYR72C, TYR80B, TYR80C, VAL106B, VAL106C, VAL17B, VAL17C, VAL254B, VAL254C, VAL295B, VAL295C, VAL31B, VAL31C, VAL40B, VAL40C, VAL58B, VAL58C
• B-D: ALA129B, ALA129D, ALA170B, ALA170D, ARG125B, ARG125D, ARG136D, ARG313B, ARG313D, GLN126B, GLN126D, GLN130B, GLN130D, GLU133B, GLU133D, GLU167B, GLU167D, GLU211B, GLU211D, GLU308B, GLU308D, GLY132B, GLY132D, HIS135B, HIS135D, LEU209B, LEU209D, PHE169B, PHE169D, PRO134B, PRO134D, PRO168B, PRO168D, SER171B, SER171D, SER210D, TYR128B, TYR128D, TYR137B, TYR137D, TYR309B, TYR309D
• C-D: ALA155C, ALA155D, ALA160C, ALA160D, ALA170C, ALA170D, ALA416C, ALA416D, ARG125C, ARG125D, ARG136C, ARG136D, ARG142C, ARG142D, ARG144C, ARG144D, ARG162C, ARG162D, ARG163C, ARG163D, ARG183C, ARG183D, ARG203C, ARG203D, ASP180C, ASP180D, ASP202C, ASP202D, CYS197C, CYS197D, GLN159C, GLN159D, GLN161C, GLN161D, GLN165C, GLN165D, GLU133C, GLU133D, GLU167C, GLU167D, GLU196C, GLU196D, GLU200C, GLU200D, GLU208C, GLU208D, GLU211C, GLU211D, GLY145C, GLY145D, GLY158C, GLY158D, GLY172C, GLY172D, GLY417C, GLY417D, HIS135C, HIS135D, HIS175C, HIS175D, HIS245C, HIS245D, ILE213C, ILE213D, LEU174C, LEU174D, LEU209C, LEU209D, LEU228C, LEU228D, LYS138C, LYS138D, LYS199C, LYS199D, LYS244C, LYS244D, PHE169C, PHE169D, PHE173C, PHE173D, PRO134C, PRO134D, PRO168C, PRO168D, PRO178C, PRO178D, PRO185C, PRO185D, PRO388C, PRO388D, SER171C, SER171D, SER210C, SER210D, THR157C, THR157D, THR177C, THR177D, THR206C, THR206D, THR212C, THR212D, THR414C, THR414D, THR415C, THR415D, TRP207C, TRP207D, TYR137C, TYR137D, TYR143C, TYR143D, TYR164C, TYR164D, TYR166C, TYR166D, TYR418C, TYR418D, VAL176C, VAL176D, VAL204C, VAL204D