3B9T

crystal structure of predicted acetamidase/formamidase (yp_546212.1) from methylobacillus flagellatus kt at 1.58 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 227
  • Norm. En. per Res.: -5.5697
• 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	-305.52	-148.8359	-809.96	-1264.3158	227	37	30	30484	20	81	68
A-C	-168.5883	-149.4029	-492.709	-810.7002	201	17	5	18406	13	63	60
A-D	-4.7942	16.8168	-26.4182	-14.3956	18	0	0	846	0	2	12
B-C	-2.4416	17.2754	-26.5142	-11.6804	17	0	0	851	0	2	12
B-D	-151.1796	-119.5409	-435.292	-706.0125	173	14	4	16182	8	52	52
C-D	-289.8103	-110.8782	-799.695	-1200.3835	229	30	30	29815	18	82	69

Interface residues

• A-B: ALA204A, ALA204B, ALA205A, ALA205B, ALA238A, ALA238B, ALA240A, ALA240B, ALA344A, ALA344B, ALA355A, ALA355B, ALA424A, ALA424B, ALA428A, ALA428B, ALA447A, ALA447B, ALA471A, ALA471B, ARG221A, ARG221B, ARG245A, ARG245B, ARG283A, ARG283B, ARG287A, ARG287B, ARG319A, ARG319B, ARG430A, ARG430B, ARG433A, ARG433B, ASN202A, ASN202B, ASN212A, ASN212B, ASN243A, ASN243B, ASN275A, ASN275B, ASN277A, ASN277B, ASN281A, ASN281B, ASN441A, ASN441B, ASP348A, ASP348B, ASP422A, ASP422B, ASP427A, ASP427B, ASP445A, ASP445B, ASP456A, ASP456B, ASP482A, CYS352A, CYS352B, GLN346A, GLN346B, GLN438A, GLN438B, GLN440A, GLN440B, GLN461A, GLN461B, GLU213A, GLU213B, GLU216A, GLU216B, GLU217A, GLU217B, GLU222A, GLU222B, GLU350A, GLU350B, GLU357A, GLU357B, GLU444A, GLU444B, GLU446A, GLU446B, GLY208A, GLY208B, GLY347A, GLY347B, GLY353A, GLY353B, GLY454A, GLY454B, GLY458A, GLY458B, GLY468A, GLY468B, GLY476A, GLY476B, GLY480A, GLY480B, HIS210A, HIS210B, HIS289A, HIS289B, HIS343A, HIS343B, HIS434A, HIS434B, HIS470A, HIS470B, ILE215A, ILE215B, ILE226A, ILE226B, ILE282A, ILE282B, ILE356A, ILE356B, ILE453A, ILE453B, ILE459A, ILE459B, ILE477A, ILE477B, LEU214A, LEU214B, LEU229A, LEU279A, LEU279B, LEU421A, LEU421B, LEU423A, LEU423B, LEU425A, LEU425B, LEU436A, LEU436B, LEU442A, LEU442B, LEU450A, LEU450B, LYS219A, LYS219B, LYS280A, LYS280B, LYS426A, LYS426B, LYS474A, LYS474B, LYS475B, PHE209A, PHE209B, PHE429A, PHE429B, PHE457A, PHE457B, PHE478A, PHE478B, PRO218A, PRO218B, PRO285A, PRO285B, PRO479A, PRO479B, SER201A, SER201B, SER345A, SER345B, SER349A, SER349B, SER399A, SER419A, SER419B, SER420A, SER420B, SER449A, SER449B, SER452A, SER452B, THR225A, THR225B, THR354A, THR354B, THR443A, THR443B, THR460A, THR460B, TRP237A, TRP237B, TRP318A, TRP318B, TRP467A, TRP467B, TYR211A, TYR211B, TYR227A, TYR227B, TYR244A, TYR244B, TYR276A, VAL203A, VAL203B, VAL223A, VAL223B, VAL224A, VAL224B, VAL278A, VAL278B, VAL284A, VAL284B, VAL286A, VAL286B, VAL448A, VAL448B, VAL455A, VAL455B, VAL462A, VAL462B, VAL463A, VAL463B, VAL469A, VAL469B, VAL472A, VAL472B, VAL473A, VAL473B
• A-C: ALA103A, ALA103C, ALA126A, ALA126C, ALA185A, ALA185C, ALA324A, ALA324C, ALA70A, ALA70C, ALA77A, ALA77C, ARG180A, ARG180C, ARG187A, ARG187C, ARG235A, ARG235C, ARG239A, ARG239C, ARG283A, ARG283C, ARG287A, ARG287C, ARG481A, ARG481C, ASN138A, ASN138C, ASN236A, ASN236C, ASP101A, ASP101C, ASP123A, ASP123C, ASP183A, ASP183C, ASP230A, ASP230C, ASP391A, ASP391C, ASP482A, ASP482C, ASP79A, ASP79C, GLN365A, GLN365C, GLN390A, GLN390C, GLN440A, GLN440C, GLU106A, GLU106C, GLU127A, GLU127C, GLU178A, GLU178C, GLU228A, GLU228C, GLU234A, GLU234C, GLU388A, GLU388C, GLU392A, GLU392C, GLU96A, GLU96C, GLY100A, GLY100C, GLY125A, GLY125C, GLY164C, GLY196A, GLY196C, GLY233A, GLY233C, GLY321A, GLY321C, GLY323A, GLY323C, GLY362A, GLY362C, GLY376A, GLY376C, GLY476A, GLY476C, GLY480A, GLY480C, GLY64A, GLY64C, GLY68A, GLY68C, HIS369A, HIS369C, HIS69A, HIS69C, HIS72A, HIS72C, ILE181A, ILE181C, ILE367A, ILE367C, ILE477A, ILE477C, ILE75A, ILE75C, LEU108A, LEU108C, LEU186A, LEU186C, LEU379A, LEU379C, LEU65A, LEU65C, LEU97A, LEU97C, LYS195C, LYS197A, LYS197C, LYS322A, LYS322C, LYS474A, LYS474C, LYS475A, LYS475C, LYS80A, LYS80C, PHE102A, PHE102C, PHE364A, PHE364C, PHE435A, PHE435C, PHE478A, PHE478C, PRO124A, PRO124C, PRO285A, PRO285C, PRO288A, PRO288C, PRO378A, PRO378C, PRO479A, PRO479C, PRO76A, PRO76C, SER128A, SER128C, SER67A, SER67C, SER78A, SER78C, THR104A, THR104C, THR163A, THR163C, THR232A, THR232C, THR325A, THR325C, THR361A, THR361C, THR363A, THR363C, THR377A, THR377C, THR389A, THR389C, THR439A, THR439C, THR66A, THR66C, THR71A, THR71C, THR81A, THR81C, TRP237A, TRP237C, TRP318A, TRP318C, TRP393A, TRP393C, TYR327A, TYR327C, TYR73A, TYR73C, TYR74A, TYR74C, VAL129A, VAL129C, VAL166A, VAL182A, VAL182C, VAL184A, VAL184C, VAL286A, VAL286C, VAL94A, VAL94C, VAL95A, VAL95C
• A-D: ARG239A, ARG239D, ARG283A, ARG283D, ASN281A, ASN281D, GLY476A, GLY476D, ILE282A, ILE282D, ILE477A, ILE477D, LYS280A, LYS280D, TRP237A, TRP237D, VAL284A, VAL284D
• B-C: ARG239B, ARG239C, ARG283B, ARG283C, ASN281B, ASN281C, GLY476B, GLY476C, ILE282B, ILE282C, ILE477B, LYS280B, LYS280C, TRP237B, TRP237C, VAL284B, VAL284C
• B-D: ALA103B, ALA103D, ALA126B, ALA185B, ALA185D, ALA324B, ALA324D, ALA70B, ALA70D, ALA77B, ARG180B, ARG180D, ARG187B, ARG235B, ARG235D, ARG239B, ARG239D, ARG283B, ARG283D, ARG287B, ARG287D, ARG481B, ARG481D, ASN138B, ASN236B, ASN236D, ASP101B, ASP101D, ASP123B, ASP183B, ASP183D, ASP230B, ASP230D, ASP391B, ASP391D, ASP79B, GLN365B, GLN365D, GLN390B, GLN390D, GLN440B, GLN440D, GLU106B, GLU127B, GLU178B, GLU178D, GLU234B, GLU234D, GLU388B, GLU388D, GLU392B, GLU392D, GLU96B, GLU96D, GLY100B, GLY100D, GLY125B, GLY196B, GLY196D, GLY233B, GLY233D, GLY321B, GLY323B, GLY323D, GLY362B, GLY362D, GLY376B, GLY376D, GLY476B, GLY476D, GLY480B, GLY480D, GLY64D, GLY68B, GLY68D, HIS369B, HIS369D, HIS69B, HIS69D, HIS72B, HIS72D, ILE105B, ILE181B, ILE181D, ILE367B, ILE367D, ILE477B, ILE477D, ILE75B, ILE75D, LEU186B, LEU186D, LEU379D, LEU65D, LEU97B, LEU97D, LYS197B, LYS197D, LYS322B, LYS322D, LYS474B, LYS474D, LYS475B, LYS475D, LYS80B, PHE102B, PHE102D, PHE364B, PHE364D, PHE435B, PHE435D, PHE478B, PHE478D, PRO124B, PRO285B, PRO285D, PRO288B, PRO288D, PRO378B, PRO378D, PRO479B, PRO479D, PRO76B, PRO76D, SER128B, SER67D, SER78B, THR104B, THR104D, THR163B, THR232B, THR232D, THR325B, THR325D, THR361B, THR361D, THR363B, THR363D, THR377B, THR377D, THR389B, THR389D, THR439B, THR439D, THR66D, THR71B, THR71D, THR81B, THR81D, TRP237B, TRP237D, TRP318B, TRP318D, TRP393B, TRP393D, TYR327B, TYR327D, TYR73B, TYR73D, TYR74B, TYR74D, VAL129B, VAL166B, VAL182B, VAL182D, VAL184B, VAL184D, VAL286B, VAL286D, VAL94B, VAL94D, VAL95B, VAL95D
• C-D: ALA204C, ALA204D, ALA205C, ALA205D, ALA238C, ALA238D, ALA240C, ALA240D, ALA344C, ALA344D, ALA355C, ALA355D, ALA424C, ALA424D, ALA428C, ALA428D, ALA447C, ALA447D, ALA471C, ALA471D, ARG221C, ARG221D, ARG239C, ARG245C, ARG245D, ARG283C, ARG283D, ARG287C, ARG287D, ARG319C, ARG319D, ARG430C, ARG430D, ARG433C, ARG433D, ASN202C, ASN202D, ASN212C, ASN212D, ASN243C, ASN243D, ASN275C, ASN275D, ASN277C, ASN277D, ASN281C, ASN281D, ASN441C, ASN441D, ASP348C, ASP348D, ASP422C, ASP422D, ASP427C, ASP427D, ASP445C, ASP445D, ASP456C, ASP456D, ASP482C, CYS352C, CYS352D, GLN346C, GLN346D, GLN438C, GLN440C, GLN440D, GLN461C, GLN461D, GLU213C, GLU213D, GLU216C, GLU216D, GLU217C, GLU217D, GLU222C, GLU222D, GLU350C, GLU350D, GLU357C, GLU357D, GLU444C, GLU444D, GLU446C, GLU446D, GLY208C, GLY208D, GLY347C, GLY347D, GLY353C, GLY353D, GLY454C, GLY454D, GLY458C, GLY458D, GLY468C, GLY468D, GLY476C, GLY476D, GLY480C, GLY480D, HIS210C, HIS210D, HIS289C, HIS289D, HIS343C, HIS343D, HIS434C, HIS470C, HIS470D, ILE215C, ILE215D, ILE226C, ILE226D, ILE282C, ILE282D, ILE356C, ILE356D, ILE453C, ILE453D, ILE459C, ILE459D, ILE477C, ILE477D, LEU214C, LEU214D, LEU229C, LEU229D, LEU279C, LEU279D, LEU421C, LEU421D, LEU423C, LEU423D, LEU425C, LEU425D, LEU436C, LEU436D, LEU442C, LEU442D, LEU450C, LEU450D, LYS219C, LYS219D, LYS280C, LYS280D, LYS426C, LYS426D, LYS474C, LYS474D, PHE209C, PHE209D, PHE429C, PHE429D, PHE457C, PHE457D, PHE478C, PHE478D, PRO218C, PRO218D, PRO285C, PRO285D, PRO479C, PRO479D, SER201C, SER201D, SER345C, SER345D, SER349C, SER349D, SER399C, SER399D, SER419C, SER419D, SER420C, SER420D, SER449C, SER449D, SER452C, SER452D, THR225C, THR225D, THR354C, THR354D, THR443C, THR443D, THR460C, THR460D, TRP237C, TRP237D, TRP318C, TRP318D, TRP467C, TRP467D, TYR211C, TYR211D, TYR227C, TYR227D, TYR242C, TYR244C, TYR244D, TYR276C, TYR276D, VAL203C, VAL203D, VAL223C, VAL223D, VAL224C, VAL224D, VAL278C, VAL278D, VAL284C, VAL284D, VAL286C, VAL286D, VAL448C, VAL448D, VAL455C, VAL455D, VAL462C, VAL462D, VAL463C, VAL463D, VAL469C, VAL469D, VAL472C, VAL472D, VAL473C, VAL473D