1Z7A

crystal structure of probable polysaccharide deacetylase from pseudomonas aeruginosa pao1

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 161
  • Norm. En. per Res.: -4.9735
• Hub Node: B(4)

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	-73.7604	-152.2001	-556.973	-782.9335	165	21	9	20685	10	73	55
A-C	0.0	0.0	-3.9992	-3.9992	16	0	1	396	0	0	1
A-D	-51.4486	-146.7432	-540.664	-738.8557	163	21	9	20104	10	74	55
B-C	-56.5573	-147.1275	-529.415	-733.0998	161	21	9	20032	10	72	55
B-D	0.0	0.0	-0.9461	-0.9461	13	0	1	170	0	0	1
B-G	-25.3761	7.4731	-81.7775	-99.6805	69	6	1	3799	2	48	47
B-H	0.0	0.0	-23.8719	-23.8719	34	0	1	1310	0	6	8
C-D	-60.4023	-144.6308	-553.29	-758.3231	162	20	9	20161	10	71	55
C-H	0.0	0.0	-0.2311	-0.2311	6	0	0	43	0	0	0
E-F	-60.6019	-174.8333	-565.292	-800.7272	161	28	9	20736	12	70	55
E-G	0.0	0.0	-0.8708	-0.8708	15	0	1	155	0	0	1
E-H	-67.9523	-174.7194	-508.658	-751.3297	162	29	9	21201	12	73	55
F-G	-82.121	-144.6443	-558.55	-785.3153	160	20	9	20806	10	72	56
F-H	0.0	0.0	-3.4436	-3.4436	16	0	1	420	0	0	1
G-H	-63.5541	-170.0345	-518.856	-752.4446	160	31	9	20715	12	70	55

Interface residues

• A-B: ALA105A, ALA106A, ALA115A, ALA239B, ALA250B, ALA267A, ALA270A, ALA271A, ALA59A, ALA60A, ALA81A, ARG108A, ARG129A, ARG167B, ARG173B, ARG219A, ARG219B, ARG261A, ARG265A, ARG268A, ARG274A, ARG41A, ARG67A, ARG7B, ARG80A, ARG85A, ARG92A, ASN109A, ASN14B, ASN15B, ASN216B, ASN227A, ASN227B, ASN228A, ASN228B, ASP132B, ASP187B, ASP190B, ASP191B, ASP192B, ASP197B, ASP214B, ASP238B, ASP241B, ASP4B, ASP8B, CYS42A, GLN107A, GLN134B, GLN222A, GLN222B, GLN224A, GLN224B, GLN231A, GLN231B, GLN234B, GLN61A, GLN61B, GLN64A, GLU111A, GLU230A, GLU230B, GLU245B, GLU246B, GLU273A, GLU36A, GLU37A, GLU40A, GLU51A, GLU56A, GLU72A, GLU76A, GLY11B, GLY13B, GLY166B, GLY169B, GLY225A, GLY225B, GLY229A, GLY229B, GLY264A, GLY38A, GLY39A, GLY46A, GLY65A, GLY78A, GLY82A, HIS45A, HIS68A, ILE10B, ILE263A, ILE27B, LEU193B, LEU213B, LEU236B, LEU243B, LEU254B, LEU262A, LEU272A, LEU44A, LEU63A, LEU74A, LEU87A, LEU89A, LEU9B, LYS237B, LYS252B, LYS88A, LYS91A, PHE220A, PHE220B, PHE226A, PHE226B, PHE232B, PHE233B, PHE240B, PHE53B, PRO110A, PRO16B, PRO170B, PRO194B, PRO198B, PRO210B, PRO266A, PRO62A, PRO6B, SER186B, SER255B, SER50A, SER55A, SER70A, SER73A, SER79A, THR165B, THR168B, THR188B, THR212B, THR215B, THR221A, THR221B, THR249B, TRP196B, TRP84A, TYR12B, TYR135B, TYR164B, TYR189B, TYR195B, TYR211B, TYR235B, TYR244B, TYR35A, TYR5B, TYR75A, TYR77A, VAL112A, VAL208B, VAL223A, VAL223B, VAL242B, VAL43A, VAL58A, VAL58B, VAL66A, VAL83A
• A-C: ASN227A, ASN227C, ASN228A, GLN222C, GLN224A, GLN224C, GLN231A, GLN231C, GLY225A, GLY225C, PHE226A, PHE226C, VAL223A, VAL223C, VAL58A, VAL58C
• A-D: ALA105D, ALA106D, ALA115D, ALA239A, ALA250A, ALA267D, ALA270D, ALA271D, ALA59D, ALA81D, ARG108D, ARG129D, ARG167A, ARG173A, ARG219A, ARG219D, ARG261D, ARG265D, ARG268D, ARG274D, ARG41D, ARG67D, ARG7A, ARG80D, ARG85D, ARG92D, ASN109D, ASN14A, ASN15A, ASN216A, ASN227A, ASN227D, ASN228A, ASN228D, ASP132A, ASP187A, ASP190A, ASP191A, ASP192A, ASP197A, ASP214A, ASP238A, ASP241A, ASP4A, ASP8A, CYS42D, GLN107D, GLN134A, GLN222A, GLN222D, GLN224A, GLN224D, GLN231A, GLN231D, GLN234A, GLN61A, GLN64D, GLU111D, GLU230A, GLU230D, GLU245A, GLU246A, GLU273D, GLU36D, GLU37D, GLU40D, GLU51D, GLU56D, GLU72D, GLU76D, GLY11A, GLY13A, GLY166A, GLY169A, GLY225A, GLY225D, GLY229A, GLY229D, GLY264D, GLY38D, GLY39D, GLY46D, GLY65D, GLY78D, GLY82D, HIS45D, HIS68D, ILE10A, ILE263D, ILE27A, LEU193A, LEU213A, LEU236A, LEU243A, LEU254A, LEU262D, LEU272D, LEU44D, LEU63D, LEU74D, LEU86D, LEU87D, LEU89D, LEU9A, LYS237A, LYS252A, LYS88D, LYS91D, PHE220A, PHE220D, PHE226A, PHE226D, PHE232A, PHE233A, PHE240A, PHE53A, PRO110D, PRO16A, PRO170A, PRO194A, PRO198A, PRO210A, PRO266D, PRO62D, PRO6A, SER186A, SER255A, SER50D, SER55D, SER70D, SER73D, SER79D, THR165A, THR168A, THR188A, THR212A, THR215A, THR221A, THR221D, THR249A, TRP196A, TRP84D, TYR12A, TYR135A, TYR164A, TYR189A, TYR195A, TYR211A, TYR235A, TYR244A, TYR35D, TYR5A, TYR75D, TYR77D, VAL112D, VAL208A, VAL223A, VAL223D, VAL242A, VAL43D, VAL58D, VAL66D, VAL83D
• B-C: ALA105B, ALA106B, ALA115B, ALA239C, ALA250C, ALA267B, ALA270B, ALA271B, ALA59B, ALA60B, ALA81B, ARG108B, ARG129B, ARG167C, ARG173C, ARG219B, ARG219C, ARG261B, ARG265B, ARG268B, ARG274B, ARG41B, ARG67B, ARG7C, ARG80B, ARG85B, ARG92B, ASN109B, ASN14C, ASN15C, ASN216C, ASN227B, ASN227C, ASN228B, ASN228C, ASP132C, ASP187C, ASP190C, ASP191C, ASP192C, ASP197C, ASP214C, ASP238C, ASP241C, ASP8C, CYS42B, GLN107B, GLN134C, GLN222B, GLN222C, GLN224B, GLN224C, GLN231B, GLN231C, GLN234C, GLN64B, GLU111B, GLU230B, GLU230C, GLU245C, GLU246C, GLU273B, GLU36B, GLU37B, GLU40B, GLU51B, GLU56B, GLU72B, GLU76B, GLY11C, GLY13C, GLY166C, GLY169C, GLY225B, GLY225C, GLY229B, GLY229C, GLY264B, GLY38B, GLY39B, GLY46B, GLY65B, GLY78B, GLY82B, HIS45B, HIS68B, ILE10C, ILE263B, ILE27C, LEU193C, LEU213C, LEU236C, LEU243C, LEU254C, LEU262B, LEU272B, LEU44B, LEU63B, LEU74B, LEU86B, LEU87B, LEU89B, LEU9C, LYS237C, LYS252C, LYS88B, LYS91B, PHE220B, PHE220C, PHE226B, PHE226C, PHE232C, PHE233C, PHE240C, PHE53C, PRO110B, PRO16C, PRO170C, PRO194C, PRO198C, PRO210C, PRO266B, PRO62B, PRO6C, SER186C, SER255C, SER50B, SER55B, SER70B, SER73B, SER79B, THR165C, THR168C, THR188C, THR212C, THR215C, THR221B, THR249C, TRP196C, TRP84B, TYR12C, TYR135C, TYR164C, TYR189C, TYR195C, TYR211C, TYR235C, TYR244C, TYR35B, TYR5C, TYR75B, TYR77B, VAL112B, VAL208C, VAL223B, VAL223C, VAL242C, VAL43B, VAL58B, VAL66B, VAL83B
• B-D: ASN227B, ASN227D, GLN224B, GLN224D, GLN231B, GLN231D, GLY225B, GLY225D, PHE226B, PHE226D, VAL223B, VAL223D, VAL58D
• B-G: ALA115G, ALA118B, ALA118G, ALA25B, ALA288B, ALA288G, ALA294B, ARG114G, ARG159G, ARG289B, ARG289G, ARG295B, ARG299B, ARG92G, ARG93B, ARG93G, ASN94B, ASN94G, ASP119B, ASP119G, ASP24B, ASP283B, ASP292B, ASP292G, GLN158B, GLN158G, GLN280B, GLN280G, GLU111G, GLU122B, GLU122G, GLU154G, GLU291B, GLU300B, GLY120B, GLY120G, GLY157G, GLY23B, HIS121G, HIS20B, HIS296B, HIS298B, ILE123G, ILE293B, LEU183B, LEU89G, LYS284B, LYS88G, LYS91G, PHE287B, PHE287G, PHE90G, PRO22B, PRO22G, PRO302B, PRO96B, PRO96G, THR153G, THR156G, TRP21B, TRP286B, TRP286G, TRP84G, VAL112G, VAL117B, VAL117G, VAL285B, VAL95B, VAL95G
• B-H: ALA115B, ALA118B, ALA248H, ALA250H, ARG114B, ARG26H, ARG289B, ARG92B, ARG93B, ASN14H, ASN15H, ASN94B, ASP119B, ASP24H, GLN158B, GLU111B, GLU245H, GLU246H, GLY120B, GLY157B, GLY247H, HIS18H, HIS20H, ILE113B, LEU155B, LYS284H, LYS91B, PHE90B, PRO16H, PRO17H, PRO251H, THR156B, THR249H, VAL117B
• C-D: ALA105C, ALA106C, ALA115C, ALA239D, ALA250D, ALA267C, ALA270C, ALA271C, ALA59C, ALA60C, ALA81C, ARG108C, ARG129C, ARG167D, ARG173D, ARG219C, ARG219D, ARG261C, ARG265C, ARG268C, ARG274C, ARG41C, ARG67C, ARG7D, ARG80C, ARG85C, ARG92C, ARG93C, ASN109C, ASN14D, ASN15D, ASN216D, ASN227C, ASN227D, ASN228C, ASN228D, ASP132D, ASP187D, ASP190D, ASP191D, ASP192D, ASP197D, ASP214D, ASP238D, ASP241D, ASP8D, CYS42C, GLN107C, GLN134D, GLN222C, GLN222D, GLN224C, GLN224D, GLN231C, GLN231D, GLN234D, GLN61C, GLN64C, GLU111C, GLU230C, GLU230D, GLU245D, GLU246D, GLU273C, GLU36C, GLU37C, GLU40C, GLU51C, GLU56C, GLU72C, GLU76C, GLY11D, GLY13D, GLY166D, GLY169D, GLY225C, GLY225D, GLY229C, GLY264C, GLY38C, GLY39C, GLY46C, GLY65C, GLY78C, GLY82C, HIS45C, HIS68C, ILE10D, ILE263C, LEU193D, LEU213D, LEU236D, LEU243D, LEU254D, LEU262C, LEU272C, LEU44C, LEU63C, LEU74C, LEU86C, LEU87C, LEU89C, LEU9D, LYS237D, LYS252D, LYS88C, LYS91C, PHE220C, PHE220D, PHE226C, PHE226D, PHE232D, PHE233D, PHE240D, PHE53D, PRO110C, PRO16D, PRO170D, PRO194D, PRO198D, PRO210D, PRO266C, PRO62C, PRO6D, SER186D, SER255D, SER50C, SER55C, SER70C, SER73C, SER79C, THR165D, THR168D, THR188D, THR212D, THR215D, THR221C, THR221D, THR249D, TRP196D, TRP84C, TYR12D, TYR135D, TYR164D, TYR189D, TYR195D, TYR211D, TYR235D, TYR244D, TYR35C, TYR5D, TYR75C, TYR77C, VAL112C, VAL208D, VAL223C, VAL223D, VAL242D, VAL43C, VAL58C, VAL66C, VAL83C
• C-H: ASN14C, ASN15C, GLN304H, GLU300H, HIS20H, THR249C
• E-F: ALA105E, ALA106E, ALA115E, ALA239F, ALA250F, ALA267E, ALA270E, ALA271E, ALA59E, ALA60E, ALA81E, ARG108E, ARG114E, ARG129E, ARG167F, ARG173F, ARG219E, ARG219F, ARG261E, ARG265E, ARG268E, ARG274E, ARG41E, ARG67E, ARG7F, ARG80E, ARG85E, ARG92E, ASN109E, ASN14F, ASN15F, ASN216F, ASN227E, ASN227F, ASN228E, ASN228F, ASP132F, ASP187F, ASP190F, ASP191F, ASP192F, ASP197F, ASP214F, ASP238F, ASP241F, ASP8F, CYS42E, GLN107E, GLN134F, GLN222E, GLN222F, GLN224E, GLN224F, GLN231E, GLN231F, GLN234F, GLN64E, GLU111E, GLU230E, GLU230F, GLU245F, GLU246F, GLU273E, GLU36E, GLU37E, GLU40E, GLU51E, GLU56E, GLU72E, GLU76E, GLY11F, GLY13F, GLY166F, GLY169F, GLY225E, GLY225F, GLY229E, GLY229F, GLY264E, GLY38E, GLY39E, GLY46E, GLY65E, GLY78E, GLY82E, HIS45E, HIS68E, ILE10F, ILE263E, ILE27F, LEU193F, LEU213F, LEU236F, LEU243F, LEU254F, LEU262E, LEU272E, LEU44E, LEU63E, LEU74E, LEU86E, LEU87E, LEU89E, LEU9F, LYS237F, LYS252F, LYS88E, PHE220E, PHE220F, PHE226E, PHE226F, PHE232F, PHE233F, PHE240F, PHE53F, PRO110E, PRO16F, PRO170F, PRO17F, PRO194F, PRO198F, PRO210F, PRO266E, PRO62E, PRO6F, SER255F, SER50E, SER55E, SER70E, SER73E, SER79E, THR168F, THR188F, THR212F, THR215F, THR221E, THR221F, THR249F, TRP196F, TRP84E, TYR12F, TYR135F, TYR164F, TYR189F, TYR195F, TYR211F, TYR235F, TYR244F, TYR35E, TYR5F, TYR75E, TYR77E, VAL112E, VAL208F, VAL223E, VAL223F, VAL242F, VAL43E, VAL58E, VAL66E, VAL83E
• E-G: ALA59E, ALA59G, ASN227E, ASN227G, ASN228G, GLN224E, GLN224G, GLN231E, GLN231G, GLY225G, PHE226G, VAL223E, VAL223G, VAL58E, VAL58G
• E-H: ALA105H, ALA106H, ALA115H, ALA239E, ALA250E, ALA267H, ALA270H, ALA271H, ALA59H, ALA60H, ALA81H, ARG108H, ARG114H, ARG129H, ARG167E, ARG173E, ARG219E, ARG219H, ARG261H, ARG265H, ARG268H, ARG274H, ARG41H, ARG67H, ARG7E, ARG80H, ARG85H, ARG92H, ASN109H, ASN14E, ASN15E, ASN216E, ASN227E, ASN227H, ASN228E, ASN228H, ASP132E, ASP187E, ASP190E, ASP191E, ASP192E, ASP197E, ASP214E, ASP238E, ASP241E, ASP4E, ASP8E, CYS42H, GLN107H, GLN134E, GLN222E, GLN222H, GLN224E, GLN224H, GLN231E, GLN231H, GLN234E, GLN61H, GLN64H, GLU111H, GLU230E, GLU230H, GLU245E, GLU246E, GLU273H, GLU36H, GLU37H, GLU40H, GLU51H, GLU56H, GLU72H, GLU76H, GLY11E, GLY13E, GLY166E, GLY169E, GLY225E, GLY225H, GLY229E, GLY229H, GLY264H, GLY38H, GLY39H, GLY46H, GLY65H, GLY78H, GLY82H, HIS45H, HIS68H, ILE10E, ILE263H, ILE27E, LEU193E, LEU213E, LEU236E, LEU243E, LEU254E, LEU262H, LEU272H, LEU44H, LEU63H, LEU74H, LEU87H, LEU89H, LEU9E, LYS237E, LYS252E, LYS88H, PHE220E, PHE220H, PHE226E, PHE226H, PHE232E, PHE233E, PHE240E, PHE53E, PRO110H, PRO16E, PRO170E, PRO194E, PRO198E, PRO210E, PRO266H, PRO62H, PRO6E, SER255E, SER50H, SER55H, SER70H, SER73H, SER79H, THR168E, THR188E, THR212E, THR215E, THR221E, THR221H, THR249E, TRP196E, TRP84H, TYR12E, TYR135E, TYR164E, TYR189E, TYR195E, TYR211E, TYR235E, TYR244E, TYR35H, TYR5E, TYR75H, TYR77H, VAL112H, VAL208E, VAL223E, VAL223H, VAL242E, VAL43H, VAL58E, VAL58H, VAL66H, VAL83H
• F-G: ALA105F, ALA106F, ALA115F, ALA239G, ALA250G, ALA267F, ALA270F, ALA271F, ALA59F, ALA60F, ALA81F, ARG108F, ARG114F, ARG129F, ARG167G, ARG173G, ARG219F, ARG219G, ARG261F, ARG265F, ARG268F, ARG274F, ARG41F, ARG67F, ARG7G, ARG80F, ARG85F, ARG92F, ASN109F, ASN14G, ASN15G, ASN216G, ASN227F, ASN227G, ASN228F, ASN228G, ASP132G, ASP187G, ASP190G, ASP191G, ASP192G, ASP197G, ASP214G, ASP238G, ASP241G, ASP4G, ASP8G, CYS42F, GLN107F, GLN134G, GLN222F, GLN222G, GLN224F, GLN224G, GLN231F, GLN231G, GLN234G, GLN64F, GLU111F, GLU230F, GLU230G, GLU245G, GLU246G, GLU273F, GLU36F, GLU37F, GLU40F, GLU51F, GLU56F, GLU72F, GLU76F, GLY11G, GLY13G, GLY166G, GLY169G, GLY225F, GLY225G, GLY229F, GLY229G, GLY264F, GLY38F, GLY39F, GLY46F, GLY65F, GLY78F, GLY82F, HIS45F, HIS68F, ILE10G, ILE263F, ILE27G, LEU193G, LEU213G, LEU236G, LEU243G, LEU254G, LEU262F, LEU272F, LEU44F, LEU63F, LEU74F, LEU87F, LEU89F, LEU9G, LYS237G, LYS252G, LYS88F, PHE220F, PHE220G, PHE226F, PHE226G, PHE232G, PHE233G, PHE240G, PHE53G, PRO110F, PRO16G, PRO170G, PRO194G, PRO198G, PRO210G, PRO266F, PRO62F, PRO6G, SER255G, SER50F, SER55F, SER70F, SER73F, SER79F, THR168G, THR188G, THR212G, THR215G, THR221F, THR221G, THR249G, TRP196G, TRP84F, TYR12G, TYR135G, TYR164G, TYR189G, TYR195G, TYR211G, TYR235G, TYR244G, TYR35F, TYR5G, TYR75F, TYR77F, VAL112F, VAL208G, VAL223F, VAL223G, VAL242G, VAL43F, VAL58F, VAL66F, VAL83F
• F-H: ASN227F, ASN227H, ASN228F, ASN228H, GLN222H, GLN224F, GLN224H, GLN231F, GLN231H, GLY225F, GLY225H, PHE226F, PHE226H, VAL223F, VAL223H, VAL58H
• G-H: ALA105G, ALA106G, ALA115G, ALA239H, ALA250H, ALA267G, ALA270G, ALA271G, ALA59G, ALA60G, ALA81G, ARG108G, ARG129G, ARG167H, ARG173H, ARG219G, ARG219H, ARG261G, ARG265G, ARG268G, ARG274G, ARG41G, ARG67G, ARG7H, ARG80G, ARG85G, ARG92G, ASN109G, ASN14H, ASN15H, ASN216H, ASN227G, ASN227H, ASN228G, ASN228H, ASP132H, ASP187H, ASP190H, ASP191H, ASP192H, ASP197H, ASP214H, ASP238H, ASP241H, ASP8H, CYS42G, GLN107G, GLN134H, GLN222G, GLN222H, GLN224G, GLN224H, GLN231G, GLN231H, GLN234H, GLN61H, GLN64G, GLU111G, GLU230G, GLU230H, GLU245H, GLU246H, GLU273G, GLU36G, GLU37G, GLU40G, GLU51G, GLU56G, GLU72G, GLU76G, GLY11H, GLY13H, GLY166H, GLY169H, GLY225G, GLY225H, GLY229G, GLY229H, GLY264G, GLY38G, GLY39G, GLY65G, GLY78G, GLY82G, HIS45G, HIS68G, ILE10H, ILE263G, ILE27H, LEU193H, LEU213H, LEU236H, LEU243H, LEU254H, LEU262G, LEU272G, LEU44G, LEU63G, LEU74G, LEU86G, LEU87G, LEU89G, LEU9H, LYS237H, LYS252H, LYS88G, PHE220G, PHE220H, PHE226G, PHE226H, PHE232H, PHE233H, PHE240H, PHE53H, PRO110G, PRO16H, PRO170H, PRO17H, PRO194H, PRO198H, PRO210H, PRO266G, PRO62G, PRO6H, SER255H, SER50G, SER55G, SER70G, SER73G, SER79G, THR168H, THR188H, THR212H, THR215H, THR221G, THR249H, TRP196H, TRP84G, TYR12H, TYR135H, TYR164H, TYR189H, TYR195H, TYR211H, TYR235H, TYR244H, TYR35G, TYR5H, TYR75G, TYR77G, VAL112G, VAL208H, VAL223G, VAL223H, VAL242H, VAL43G, VAL58G, VAL58H, VAL66G, VAL83G